His-ah(36-76)

Structural Information

Molecular Formula

C₂₃₀H₃₂₈N₇₂O₆₉S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)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](CS)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)O)C(=O)NCC(=O)N[C@@H](C)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](CS)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]9CCCN9C(=O)CNC(=O)[C@H]([C@@H](C)O)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)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CN=CN1)N)O

InChI

InChI=1S/C230H328N72O69S2/c1-107(2)62-142(201(343)276-144(65-118-28-18-17-19-29-118)205(347)291-161(228(370)371)69-122-43-51-133(312)52-44-122)274-206(348)148(70-123-83-250-136-31-21-20-30-134(123)136)279-196(338)138(32-22-23-57-231)270-198(340)140(53-55-168(233)313)271-203(345)145(66-119-37-45-130(309)46-38-119)278-215(357)162(97-303)268-175(320)91-251-173(318)90-252-192(334)154(77-170(235)315)284-218(360)165(100-373)294-220(362)167-36-27-61-302(167)227(369)160(64-109(5)6)290-225(367)188(117(16)308)300-213(355)147(68-121-41-49-132(311)50-42-121)289-224(366)183(110(7)8)296-190(332)112(11)264-174(319)92-253-194(336)158(81-181(327)328)287-204(346)146(67-120-39-47-131(310)48-40-120)277-211(353)156(79-172(237)317)286-216(358)163(98-304)292-212(354)159(82-182(329)330)288-202(344)143(63-108(3)4)275-217(359)164(99-372)293-195(337)137(33-24-58-248-229(238)239)266-176(321)94-256-221(363)185(114(13)305)298-199(341)141(54-56-169(234)314)269-189(331)113(12)265-200(342)155(78-171(236)316)285-197(339)139(34-25-59-249-230(240)241)272-223(365)184(111(9)10)297-226(368)187(116(15)307)295-178(323)95-254-193(335)157(80-180(325)326)267-177(322)93-255-219(361)166-35-26-60-301(166)179(324)96-257-222(364)186(115(14)306)299-214(356)153(76-129-89-247-106-263-129)283-210(352)152(75-128-88-246-105-262-128)282-209(351)151(74-127-87-245-104-261-127)281-208(350)150(73-126-86-244-103-260-126)280-207(349)149(72-125-85-243-102-259-125)273-191(333)135(232)71-124-84-242-101-258-124/h17-21,28-31,37-52,83-89,101-117,135,137-167,183-188,250,303-312,372-373H,22-27,32-36,53-82,90-100,231-232H2,1-16H3,(H2,233,313)(H2,234,314)(H2,235,315)(H2,236,316)(H2,237,317)(H,242,258)(H,243,259)(H,244,260)(H,245,261)(H,246,262)(H,247,263)(H,251,318)(H,252,334)(H,253,336)(H,254,335)(H,255,361)(H,256,363)(H,257,364)(H,264,319)(H,265,342)(H,266,321)(H,267,322)(H,268,320)(H,269,331)(H,270,340)(H,271,345)(H,272,365)(H,273,333)(H,274,348)(H,275,359)(H,276,343)(H,277,353)(H,278,357)(H,279,338)(H,280,349)(H,281,350)(H,282,351)(H,283,352)(H,284,360)(H,285,339)(H,286,358)(H,287,346)(H,288,344)(H,289,366)(H,290,367)(H,291,347)(H,292,354)(H,293,337)(H,294,362)(H,295,323)(H,296,332)(H,297,368)(H,298,341)(H,299,356)(H,300,355)(H,325,326)(H,327,328)(H,329,330)(H,370,371)(H4,238,239,248)(H4,240,241,249)/t112-,113-,114+,115+,116+,117+,135-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,183-,184-,185-,186-,187-,188-/m0/s1

InChIKey

ISZVUNYGUBAHQD-YOPDLRDZSA-N

Compound name

(3S)-4-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-[[(2S)-4-amino-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-[[2-[[(2S)-1-[2-[[(2S,3R)-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]-3-hydroxybutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16133747