C28-89.6b

Structural Information

Molecular Formula

C₁₅₃H₂₃₅N₃₇O₅₇

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](CCCCN)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/C153H235N37O57/c1-16-73(11)122(187-136(230)86(163-77(15)194)40-49-114(204)205)151(245)184-105(66-120(216)217)146(240)181-103(64-113(161)203)143(237)178-101(62-80-28-34-83(197)35-29-80)148(242)190-125(76(14)193)153(247)185-106(67-121(218)219)145(239)179-100(61-79-26-32-82(196)33-27-79)147(241)188-123(74(12)17-2)150(244)183-99(60-78-24-30-81(195)31-25-78)141(235)182-104(65-119(214)215)144(238)177-98(59-72(9)10)140(234)176-96(57-70(5)6)138(232)170-92(42-51-116(208)209)133(227)165-85(23-19-21-55-155)128(222)186-107(68-191)149(243)172-90(39-48-111(159)201)137(231)189-124(75(13)192)152(246)173-89(38-47-110(158)200)131(225)166-87(36-45-108(156)198)129(223)168-91(41-50-115(206)207)132(226)164-84(22-18-20-54-154)127(221)180-102(63-112(160)202)142(236)171-93(43-52-117(210)211)134(228)167-88(37-46-109(157)199)130(224)169-94(44-53-118(212)213)135(229)175-97(58-71(7)8)139(233)174-95(126(162)220)56-69(3)4/h24-35,69-76,84-107,122-125,191-193,195-197H,16-23,36-68,154-155H2,1-15H3,(H2,156,198)(H2,157,199)(H2,158,200)(H2,159,201)(H2,160,202)(H2,161,203)(H2,162,220)(H,163,194)(H,164,226)(H,165,227)(H,166,225)(H,167,228)(H,168,223)(H,169,224)(H,170,232)(H,171,236)(H,172,243)(H,173,246)(H,174,233)(H,175,229)(H,176,234)(H,177,238)(H,178,237)(H,179,239)(H,180,221)(H,181,240)(H,182,235)(H,183,244)(H,184,245)(H,185,247)(H,186,222)(H,187,230)(H,188,241)(H,189,231)(H,190,242)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)/t73-,74-,75+,76+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,122-,123-,124-,125-/m0/s1

InChIKey

CIDBTRDDOIJSDK-SWPOYVPSSA-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)-6-amino-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]-1-oxohexan-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 16133688