(4s)-4-[[(2s)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1s)-1-benzhydryl-2-[[(1s)-1-[[(1s)-1-(cyclohexylmethyl)-2-[[(1r)-2-[2-(4-nitrophenyl)ethylamino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid

Structural Information

Molecular Formula

C₅₁H₆₄N₈O₁₅S

SMILES

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CS)C(=O)NCCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C51H64N8O15S/c1-30(60)53-39(28-43(65)66)50(71)54-37(22-24-42(63)64)48(69)58-45(44(33-13-7-3-8-14-33)34-15-9-4-10-16-34)51(72)55-36(21-23-41(61)62)47(68)56-38(27-32-11-5-2-6-12-32)49(70)57-40(29-75)46(67)52-26-25-31-17-19-35(20-18-31)59(73)74/h3-4,7-10,13-20,32,36-40,44-45,75H,2,5-6,11-12,21-29H2,1H3,(H,52,67)(H,53,60)(H,54,71)(H,55,72)(H,56,68)(H,57,70)(H,58,69)(H,61,62)(H,63,64)(H,65,66)/t36-,37-,38-,39-,40-,45-/m0/s1

InChIKey

RYARPKVYWOOZIQ-VUKWIJDPSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-3-cyclohexyl-1-[[(2R)-1-[2-(4-nitrophenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 507560