C28-89.6a

Structural Information

Molecular Formula

C₁₅₃H₂₃₄N₃₆O₅₈

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](CCCCN)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/C153H234N36O58/c1-16-73(11)122(186-136(230)86(162-77(15)193)39-48-113(202)203)151(245)183-105(66-120(216)217)146(240)180-103(64-112(160)201)143(237)177-101(62-80-28-34-83(196)35-29-80)148(242)189-125(76(14)192)153(247)184-106(67-121(218)219)145(239)178-100(61-79-26-32-82(195)33-27-79)147(241)187-123(74(12)17-2)150(244)182-99(60-78-24-30-81(194)31-25-78)141(235)181-104(65-119(214)215)144(238)176-98(59-72(9)10)140(234)175-96(57-70(5)6)138(232)169-92(42-51-116(208)209)133(227)168-94(44-53-118(212)213)135(229)185-107(68-190)149(243)171-89(38-47-110(158)199)137(231)188-124(75(13)191)152(246)172-88(37-46-109(157)198)130(224)165-87(36-45-108(156)197)129(223)167-90(40-49-114(204)205)131(225)164-85(23-19-21-55-155)128(222)179-102(63-111(159)200)142(236)170-91(41-50-115(206)207)132(226)163-84(22-18-20-54-154)127(221)166-93(43-52-117(210)211)134(228)174-97(58-71(7)8)139(233)173-95(126(161)220)56-69(3)4/h24-35,69-76,84-107,122-125,190-192,194-196H,16-23,36-68,154-155H2,1-15H3,(H2,156,197)(H2,157,198)(H2,158,199)(H2,159,200)(H2,160,201)(H2,161,220)(H,162,193)(H,163,226)(H,164,225)(H,165,224)(H,166,221)(H,167,223)(H,168,227)(H,169,232)(H,170,236)(H,171,243)(H,172,246)(H,173,233)(H,174,228)(H,175,234)(H,176,238)(H,177,237)(H,178,239)(H,179,222)(H,180,240)(H,181,235)(H,182,244)(H,183,245)(H,184,247)(H,185,229)(H,186,230)(H,187,241)(H,188,231)(H,189,242)(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)/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

VMEOMTYDTWRFEF-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)-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)-6-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-oxohexan-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 16133687