[(2R)-2-[[(2R)-2-[2-oxidanylidene-2-[[(2S)-1-oxidanylpropan-2-yl]amino]ethyl]pent-4-enoyl]amino]-3-(phenylmethylsulfanyl)propyl] (2S)-2-(phenylmethyl)pent-4-enoate

Systemtic Name: [(2R)-2-[[(2R)-2-[2-oxidanylidene-2-[[(2S)-1-oxidanylpropan-2-yl]amino]ethyl]pent-4-enoyl]amino]-3-(phenylmethylsulfanyl)propyl] (2S)-2-(phenylmethyl)pent-4-enoate Openeye Name: [(2R)-3-benzylsulfanyl-2-[[(2R)-2-[2-[[(1S)-2-hydroxy-1-methyl-ethyl]amino]-2-oxo-ethyl]pent-4-enoyl]amino]propyl] (2S)-2-benzylpent-4-enoate CAS Name: (2S)-2-(phenylmethyl)-4-pentenoic acid [(2R)-2-[[(2R)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-1-oxopent-4-enyl]amino]-3-(phenylmethylthio)propyl] ester IUPAC Name: [(2R)-3-benzylsulfanyl-2-[[(2R)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]propyl] (2S)-2-benzylpent-4-enoate Traditional Name: (2S)-2-benzylpent-4-enoic acid [(2R)-3-(benzylthio)-2-[[(2R)-2-[2-[[(1S)-2-hydroxy-1-methyl-ethyl]amino]-2-keto-ethyl]pent-4-enoyl]amino]propyl] ester Formula: C32H42N2O5S MolecularWeight: 566.75128

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC(=O)CC(CC=C)C(=O)NC(COC(=O)C(CC=C)CC1=CC=CC=C1)CSCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](CO)NC(=O)C[C@@H](CC=C)C(=O)N[C@H](COC(=O)[C@@H](CC=C)CC1=CC=CC=C1)CSCC2=CC=CC=C2

InChI

InChI=1S/C32H42N2O5S/c1-4-12-27(19-30(36)33-24(3)20-35)31(37)34-29(23-40-22-26-16-10-7-11-17-26)21-39-32(38)28(13-5-2)18-25-14-8-6-9-15-25/h4-11,14-17,24,27-29,35H,1-2,12-13,18-23H2,3H3,(H,33,36)(H,34,37)/t24-,27+,28-,29+/m0/s1