(4s)-4-[[(2s)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1s)-1-benzhydryl-2-[[(1s)-1-[[(1s)-2-[[(1r)-2-[2-(3-chlorophenyl)ethylamino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid

Structural Information

Molecular Formula

C₅₁H₆₄ClN₇O₁₃S

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(=CC=C4)Cl

InChI

InChI=1S/C51H64ClN7O13S/c1-30(60)54-39(28-43(65)66)50(71)55-37(21-23-42(63)64)48(69)59-45(44(33-15-7-3-8-16-33)34-17-9-4-10-18-34)51(72)56-36(20-22-41(61)62)47(68)57-38(27-31-12-5-2-6-13-31)49(70)58-40(29-73)46(67)53-25-24-32-14-11-19-35(52)26-32/h3-4,7-11,14-19,26,31,36-40,44-45,73H,2,5-6,12-13,20-25,27-29H2,1H3,(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)/t36-,37-,38-,39-,40-,45-/m0/s1

InChIKey

DBUMTDDXZIBONT-VUKWIJDPSA-N

Compound name

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

Related CIDs

• CID 507555