C28-89.6c

Structural Information

Molecular Formula

C₁₅₂H₂₃₀N₃₆O₅₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)C

InChI

InChI=1S/C152H230N36O59/c1-16-71(11)121(185-135(230)83(161-75(15)192)37-47-112(202)203)150(245)182-103(64-119(216)217)145(240)179-101(62-111(159)201)142(237)176-99(60-78-25-31-81(195)32-26-78)147(242)188-124(74(14)191)152(247)183-104(65-120(218)219)144(239)177-98(59-77-23-29-80(194)30-24-77)146(241)186-122(72(12)17-2)149(244)181-97(58-76-21-27-79(193)28-22-76)140(235)180-102(63-118(214)215)143(238)175-96(57-70(9)10)139(234)174-94(55-68(5)6)137(232)168-89(39-49-114(206)207)132(227)167-92(42-52-117(212)213)134(229)184-105(66-189)148(243)170-87(36-46-109(157)199)136(231)187-123(73(13)190)151(246)171-86(35-45-108(156)198)129(224)163-84(33-43-106(154)196)127(222)165-88(38-48-113(204)205)130(225)162-82(20-18-19-53-153)126(221)178-100(61-110(158)200)141(236)169-90(40-50-115(208)209)131(226)164-85(34-44-107(155)197)128(223)166-91(41-51-116(210)211)133(228)173-95(56-69(7)8)138(233)172-93(125(160)220)54-67(3)4/h21-32,67-74,82-105,121-124,189-191,193-195H,16-20,33-66,153H2,1-15H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H2,158,200)(H2,159,201)(H2,160,220)(H,161,192)(H,162,225)(H,163,224)(H,164,226)(H,165,222)(H,166,223)(H,167,227)(H,168,232)(H,169,236)(H,170,243)(H,171,246)(H,172,233)(H,173,228)(H,174,234)(H,175,238)(H,176,237)(H,177,239)(H,178,221)(H,179,240)(H,180,235)(H,181,244)(H,182,245)(H,183,247)(H,184,229)(H,185,230)(H,186,241)(H,187,231)(H,188,242)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)/t71-,72-,73+,74+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,121-,122-,123-,124-/m0/s1

InChIKey

QJYHQNVPSUYUAD-IPBKPWBHSA-N

Compound name

(4S)-4-acetamido-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133689