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

Structural Information

Molecular Formula

C₅₁H₆₆N₈O₁₅S₂

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)S(=O)(=O)N

InChI

InChI=1S/C51H66N8O15S2/c1-30(60)54-39(28-43(65)66)50(71)55-37(22-24-42(63)64)48(69)59-45(44(33-13-7-3-8-14-33)34-15-9-4-10-16-34)51(72)56-36(21-23-41(61)62)47(68)57-38(27-32-11-5-2-6-12-32)49(70)58-40(29-75)46(67)53-26-25-31-17-19-35(20-18-31)76(52,73)74/h3-4,7-10,13-20,32,36-40,44-45,75H,2,5-6,11-12,21-29H2,1H3,(H,53,67)(H,54,60)(H,55,71)(H,56,72)(H,57,68)(H,58,70)(H,59,69)(H,61,62)(H,63,64)(H,65,66)(H2,52,73,74)/t36-,37-,38-,39-,40-,45-/m0/s1

InChIKey

VRKXFGIZBPKXAW-VUKWIJDPSA-N

Compound name

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

Related CIDs

• CID 507559