C28-89.6

Structural Information

Molecular Formula

C₁₅₄H₂₃₉N₃₇O₅₆

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](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/C154H239N37O56/c1-16-75(11)123(188-137(230)89(164-79(15)195)42-50-115(204)205)152(245)185-107(68-121(216)217)147(240)182-105(66-114(162)203)144(237)179-103(64-82-31-37-85(198)38-32-82)149(242)191-126(78(14)194)154(247)186-108(69-122(218)219)146(239)180-102(63-81-29-35-84(197)36-30-81)148(241)189-124(76(12)17-2)151(244)184-101(62-80-27-33-83(196)34-28-80)142(235)183-106(67-120(214)215)145(238)178-100(61-74(9)10)141(234)177-98(59-72(5)6)139(232)171-94(44-52-117(208)209)134(227)167-88(26-20-23-57-157)130(223)187-109(70-192)150(243)173-92(41-49-112(160)201)138(231)190-125(77(13)193)153(246)174-91(40-48-111(159)200)132(225)168-90(39-47-110(158)199)131(224)170-93(43-51-116(206)207)133(226)166-87(25-19-22-56-156)129(222)181-104(65-113(161)202)143(236)172-95(45-53-118(210)211)135(228)165-86(24-18-21-55-155)128(221)169-96(46-54-119(212)213)136(229)176-99(60-73(7)8)140(233)175-97(127(163)220)58-71(3)4/h27-38,71-78,86-109,123-126,192-194,196-198H,16-26,39-70,155-157H2,1-15H3,(H2,158,199)(H2,159,200)(H2,160,201)(H2,161,202)(H2,162,203)(H2,163,220)(H,164,195)(H,165,228)(H,166,226)(H,167,227)(H,168,225)(H,169,221)(H,170,224)(H,171,232)(H,172,236)(H,173,243)(H,174,246)(H,175,233)(H,176,229)(H,177,234)(H,178,238)(H,179,237)(H,180,239)(H,181,222)(H,182,240)(H,183,235)(H,184,244)(H,185,245)(H,186,247)(H,187,223)(H,188,230)(H,189,241)(H,190,231)(H,191,242)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)/t75-,76-,77+,78+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,123-,124-,125-,126-/m0/s1

InChIKey

JBBOTOXQDWGQCM-LHEGKVEJSA-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)-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]-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 16133686