[(2S)-3,3-dimethyl-2-[[(2R)-2-[2-oxidanylidene-2-[[(2S)-1-oxidanylpropan-2-yl]amino]ethyl]pent-4-enoyl]amino]butyl] (2R)-2-(phenylmethyl)hept-6-enoate

Systemtic Name: [(2S)-3,3-dimethyl-2-[[(2R)-2-[2-oxidanylidene-2-[[(2S)-1-oxidanylpropan-2-yl]amino]ethyl]pent-4-enoyl]amino]butyl] (2R)-2-(phenylmethyl)hept-6-enoate Openeye Name: [(2S)-2-[[(2R)-2-[2-[[(1S)-2-hydroxy-1-methyl-ethyl]amino]-2-oxo-ethyl]pent-4-enoyl]amino]-3,3-dimethyl-butyl] (2R)-2-benzylhept-6-enoate CAS Name: (2R)-2-(phenylmethyl)-6-heptenoic acid [(2S)-2-[[(2R)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-1-oxopent-4-enyl]amino]-3,3-dimethylbutyl] ester IUPAC Name: [(2S)-2-[[(2R)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3,3-dimethylbutyl] (2R)-2-benzylhept-6-enoate Traditional Name: (2R)-2-benzylhept-6-enoic acid [(2S)-2-[[(2R)-2-[2-[[(1S)-2-hydroxy-1-methyl-ethyl]amino]-2-keto-ethyl]pent-4-enoyl]amino]-3,3-dimethyl-butyl] ester Formula: C30H46N2O5 MolecularWeight: 514.69664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O5/c1-7-9-11-17-25(18-23-15-12-10-13-16-23)29(36)37-21-26(30(4,5)6)32-28(35)24(14-8-2)19-27(34)31-22(3)20-33/h7-8,10,12-13,15-16,22,24-26,33H,1-2,9,11,14,17-21H2,3-6H3,(H,31,34)(H,32,35)/t22-,24+,25+,26+/m0/s1