(4s)-4-[[2-[[(2s)-6-amino-2-[[(2s,3s)-2-[[(2s)-6-amino-2-[[(2r)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[2-[[(2s,3r)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[2-[[(2s,3s)-2-[[(2s)-4-amino-2-[[(2s)-6-amino-2-[[(2s,3s)-2-[[2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s)-6-amino-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[2-[[2-[[(2s,3s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[[(2s)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]-5-[[(1r)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid

Structural Information

Molecular Formula

C₂₁₆H₃₈₀N₆₂O₅₉S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C216H380N62O59S3/c1-33-114(20)167(273-188(310)134(72-51-59-86-223)250-199(321)147(106-279)264-193(315)142(93-126-63-43-42-44-64-126)262-212(334)172(119(25)38-6)272-179(301)127(225)65-61-88-232-215(228)229)202(324)238-98-152(283)234-99-153(284)244-130(68-47-55-82-219)182(304)242-124(30)178(300)271-171(118(24)37-5)209(331)255-133(71-50-58-85-222)184(306)258-143(94-150(226)281)194(316)257-141(92-110(12)13)195(317)276-174(121(27)40-8)213(335)261-140(91-109(10)11)192(314)249-128(66-45-53-80-217)180(302)237-104-158(289)266-169(116(22)35-3)207(329)254-132(70-49-57-84-221)185(307)259-144(95-151(227)282)196(318)274-168(115(21)34-2)203(325)240-103-155(286)245-131(69-48-56-83-220)183(305)252-138(76-78-161(293)294)191(313)268-164(111(14)15)201(323)239-102-156(287)247-139(79-90-340-32)187(309)260-145(96-162(295)296)197(319)270-166(113(18)19)206(328)277-175(122(28)41-9)211(333)256-136(74-62-89-233-216(230)231)190(312)278-176(125(31)280)204(326)241-105-159(290)267-170(117(23)36-4)208(330)263-146(97-163(297)298)198(320)269-165(112(16)17)205(327)243-123(29)177(299)235-100-157(288)248-148(107-338)200(322)251-135(73-52-60-87-224)189(311)275-173(120(26)39-7)210(332)253-129(67-46-54-81-218)181(303)236-101-154(285)246-137(75-77-160(291)292)186(308)265-149(108-339)214(336)337/h42-44,63-64,109-125,127-149,164-176,279-280,338-339H,33-41,45-62,65-108,217-225H2,1-32H3,(H2,226,281)(H2,227,282)(H,234,283)(H,235,299)(H,236,303)(H,237,302)(H,238,324)(H,239,323)(H,240,325)(H,241,326)(H,242,304)(H,243,327)(H,244,284)(H,245,286)(H,246,285)(H,247,287)(H,248,288)(H,249,314)(H,250,321)(H,251,322)(H,252,305)(H,253,332)(H,254,329)(H,255,331)(H,256,333)(H,257,316)(H,258,306)(H,259,307)(H,260,309)(H,261,335)(H,262,334)(H,263,330)(H,264,315)(H,265,308)(H,266,289)(H,267,290)(H,268,313)(H,269,320)(H,270,319)(H,271,300)(H,272,301)(H,273,310)(H,274,318)(H,275,311)(H,276,317)(H,277,328)(H,278,312)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,336,337)(H4,228,229,232)(H4,230,231,233)/t114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-/m0/s1

InChIKey

MQWBGDUDUQHVFN-KBYPGULJSA-N

Compound name

(4S)-4-[[2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71592155