[(2S)-3-methyl-2-[[(2R)-2-[2-oxidanylidene-2-[[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethyl]pent-4-enoyl]amino]butyl] (2R)-2-(phenylmethyl)hept-6-enoate

Systemtic Name: [(2S)-3-methyl-2-[[(2R)-2-[2-oxidanylidene-2-[[(2R)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethyl]pent-4-enoyl]amino]butyl] (2R)-2-(phenylmethyl)hept-6-enoate Openeye Name: [(2S)-2-[[(2R)-2-[2-[[(1R)-1-benzyl-2-hydroxy-ethyl]amino]-2-oxo-ethyl]pent-4-enoyl]amino]-3-methyl-butyl] (2R)-2-benzylhept-6-enoate CAS Name: (2R)-2-(phenylmethyl)-6-heptenoic acid [(2S)-2-[[(2R)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-oxopent-4-enyl]amino]-3-methylbutyl] ester IUPAC Name: [(2S)-2-[[(2R)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-methylbutyl] (2R)-2-benzylhept-6-enoate Traditional Name: (2R)-2-benzylhept-6-enoic acid [(2S)-2-[[(2R)-2-[2-[[(1R)-1-benzyl-2-hydroxy-ethyl]amino]-2-keto-ethyl]pent-4-enoyl]amino]-3-methyl-butyl] ester Formula: C35H48N2O5 MolecularWeight: 576.76602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC(=O)C(CCCC=C)CC1=CC=CC=C1)NC(=O)C(CC=C)CC(=O)NC(CC2=CC=CC=C2)CO

Isomeric SMILES

CC(C)[C@@H](COC(=O)[C@H](CCCC=C)CC1=CC=CC=C1)NC(=O)[C@H](CC=C)CC(=O)N[C@H](CC2=CC=CC=C2)CO

InChI

InChI=1S/C35H48N2O5/c1-5-7-10-20-30(21-27-16-11-8-12-17-27)35(41)42-25-32(26(3)4)37-34(40)29(15-6-2)23-33(39)36-31(24-38)22-28-18-13-9-14-19-28/h5-6,8-9,11-14,16-19,26,29-32,38H,1-2,7,10,15,20-25H2,3-4H3,(H,36,39)(H,37,40)/t29-,30-,31-,32-/m1/s1