86472-71-1

Structural Information

Molecular Formula

C₂₂₅H₃₆₀N₇₆O₆₇S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC6=CN=CN6)N

InChI

InChI=1S/C225H360N76O67S/c1-20-111(12)174(298-180(329)116(17)264-201(350)154(96-172(323)324)282-179(328)114(15)262-181(330)126(227)92-122-98-249-105-260-122)215(364)293-151(89-119-40-27-24-28-41-119)210(359)301-177(117(18)305)217(366)297-159(104-304)213(362)296-158(103-303)212(361)288-150(91-121-52-56-125(307)57-53-121)205(354)272-129(44-32-77-252-220(237)238)185(334)271-134(49-37-82-257-225(247)248)198(347)299-176(113(14)22-3)216(365)292-144(84-107(4)5)183(332)259-101-168(316)265-136(59-67-161(229)309)192(341)284-146(86-109(8)9)203(352)287-148(90-120-50-54-124(306)55-51-120)200(349)263-115(16)178(327)267-128(43-31-76-251-219(235)236)184(333)268-127(42-29-30-75-226)187(336)283-145(85-108(6)7)202(351)285-147(87-110(10)11)204(353)289-152(93-123-99-250-106-261-123)207(356)280-142(65-73-171(321)322)199(348)300-175(112(13)21-2)214(363)281-143(74-83-369-19)197(346)291-155(97-173(325)326)209(358)273-130(45-33-78-253-221(239)240)186(335)276-139(61-69-163(231)311)194(343)275-135(58-66-160(228)308)182(331)258-100-167(315)266-137(63-71-169(317)318)191(340)269-131(46-34-79-254-222(241)242)189(338)290-153(94-165(233)313)208(357)279-140(62-70-164(232)312)195(344)278-141(64-72-170(319)320)196(345)277-138(60-68-162(230)310)193(342)270-133(48-36-81-256-224(245)246)190(339)295-157(102-302)211(360)274-132(47-35-80-255-223(243)244)188(337)286-149(88-118-38-25-23-26-39-118)206(355)294-156(218(367)368)95-166(234)314/h23-28,38-41,50-57,98-99,105-117,126-159,174-177,302-307H,20-22,29-37,42-49,58-97,100-104,226-227H2,1-19H3,(H2,228,308)(H2,229,309)(H2,230,310)(H2,231,311)(H2,232,312)(H2,233,313)(H2,234,314)(H,249,260)(H,250,261)(H,258,331)(H,259,332)(H,262,330)(H,263,349)(H,264,350)(H,265,316)(H,266,315)(H,267,327)(H,268,333)(H,269,340)(H,270,342)(H,271,334)(H,272,354)(H,273,358)(H,274,360)(H,275,343)(H,276,335)(H,277,345)(H,278,344)(H,279,357)(H,280,356)(H,281,363)(H,282,328)(H,283,336)(H,284,341)(H,285,351)(H,286,337)(H,287,352)(H,288,361)(H,289,353)(H,290,338)(H,291,346)(H,292,365)(H,293,364)(H,294,355)(H,295,339)(H,296,362)(H,297,366)(H,298,329)(H,299,347)(H,300,348)(H,301,359)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,367,368)(H4,235,236,251)(H4,237,238,252)(H4,239,240,253)(H4,241,242,254)(H4,243,244,255)(H4,245,246,256)(H4,247,248,257)/t111-,112-,113-,114-,115-,116-,117+,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,174-,175-,176-,177-/m0/s1

InChIKey

ORNDKVCWLUZAQL-FOWIMTFFSA-N

Compound name

(4S)-4-[[2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16132356