His-ah(1-38)

Structural Information

Molecular Formula

C₂₁₅H₃₁₈N₇₄O₆₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N7CCC[C@H]7C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H](CC9=CN=CN9)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CN=CN1)N

InChI

InChI=1S/C215H318N74O64/c1-20-101(12)169(283-210(350)173(108(19)295)287-207(347)168(100(10)11)282-202(342)150(89-291)279-176(316)103(14)252-185(325)136(64-114-78-232-91-247-114)269-192(332)138(66-116-80-234-93-249-116)271-194(334)140(68-118-82-236-95-251-118)272-193(333)139(67-117-81-235-94-250-117)270-191(331)137(65-115-79-233-92-248-115)263-177(317)123(216)63-113-77-231-90-246-113)208(348)261-127(32-25-53-239-215(229)230)182(322)274-145(73-159(223)305)186(326)253-102(13)174(314)258-129(48-50-154(218)300)184(324)284-170(105(16)292)204(344)244-86-163(309)255-125(30-23-51-237-213(225)226)180(320)264-130(56-96(2)3)187(327)265-131(57-97(4)5)188(328)276-147(75-166(312)313)197(337)280-149(88-290)201(341)275-146(74-160(224)306)196(336)267-133(60-110-37-43-120(297)44-38-110)190(330)273-142(70-156(220)302)179(319)243-85-164(310)257-144(72-158(222)304)200(340)281-167(99(8)9)206(346)277-134(61-111-39-45-121(298)46-40-111)198(338)286-172(107(18)294)209(349)278-148(58-98(6)7)211(351)289-55-26-33-151(289)203(343)254-104(15)175(315)262-141(69-155(219)301)178(318)242-83-161(307)241-84-162(308)256-143(71-157(221)303)195(335)266-132(59-109-35-41-119(296)42-36-109)189(329)260-128(47-49-153(217)299)183(323)259-126(31-24-52-238-214(227)228)181(321)268-135(62-112-76-240-124-29-22-21-28-122(112)124)199(339)285-171(106(17)293)205(345)245-87-165(311)288-54-27-34-152(288)212(352)353/h21-22,28-29,35-46,76-82,90-108,123,125-152,167-173,240,290-298H,20,23-27,30-34,47-75,83-89,216H2,1-19H3,(H2,217,299)(H2,218,300)(H2,219,301)(H2,220,302)(H2,221,303)(H2,222,304)(H2,223,305)(H2,224,306)(H,231,246)(H,232,247)(H,233,248)(H,234,249)(H,235,250)(H,236,251)(H,241,307)(H,242,318)(H,243,319)(H,244,344)(H,245,345)(H,252,325)(H,253,326)(H,254,343)(H,255,309)(H,256,308)(H,257,310)(H,258,314)(H,259,323)(H,260,329)(H,261,348)(H,262,315)(H,263,317)(H,264,320)(H,265,327)(H,266,335)(H,267,336)(H,268,321)(H,269,332)(H,270,331)(H,271,334)(H,272,333)(H,273,330)(H,274,322)(H,275,341)(H,276,328)(H,277,346)(H,278,349)(H,279,316)(H,280,337)(H,281,340)(H,282,342)(H,283,350)(H,284,324)(H,285,339)(H,286,338)(H,287,347)(H,312,313)(H,352,353)(H4,225,226,237)(H4,227,228,238)(H4,229,230,239)/t101-,102-,103-,104-,105+,106+,107+,108+,123-,125-,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-,167-,168-,169-,170-,171-,172-,173-/m0/s1

InChIKey

YMEPMDUQXCCIAX-MQDHADOQSA-N

Compound name

(2S)-1-[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 16133746