[(2S)-2-[[(2R)-2-[2-[2-(2-hydroxyethyloxy)ethylamino]-2-oxidanylidene-ethyl]pent-4-enoyl]amino]-3,3-dimethyl-butyl] (2R)-2-(phenylmethyl)pent-4-enoate

Systemtic Name: [(2S)-2-[[(2R)-2-[2-[2-(2-hydroxyethyloxy)ethylamino]-2-oxidanylidene-ethyl]pent-4-enoyl]amino]-3,3-dimethyl-butyl] (2R)-2-(phenylmethyl)pent-4-enoate Openeye Name: [(2S)-2-[[(2R)-2-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxo-ethyl]pent-4-enoyl]amino]-3,3-dimethyl-butyl] (2R)-2-benzylpent-4-enoate CAS Name: (2R)-2-(phenylmethyl)-4-pentenoic acid [(2S)-2-[[(2R)-2-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]-1-oxopent-4-enyl]amino]-3,3-dimethylbutyl] ester IUPAC Name: [(2S)-2-[[(2R)-2-[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoethyl]pent-4-enoyl]amino]-3,3-dimethylbutyl] (2R)-2-benzylpent-4-enoate Traditional Name: (2R)-2-benzylpent-4-enoic acid [(2S)-2-[[(2R)-2-[2-[2-(2-hydroxyethoxy)ethylamino]-2-keto-ethyl]pent-4-enoyl]amino]-3,3-dimethyl-butyl] ester Formula: C29H44N2O6 MolecularWeight: 516.66946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(COC(=O)C(CC=C)CC1=CC=CC=C1)NC(=O)C(CC=C)CC(=O)NCCOCCO

Isomeric SMILES

CC(C)(C)[C@@H](COC(=O)[C@H](CC=C)CC1=CC=CC=C1)NC(=O)[C@H](CC=C)CC(=O)NCCOCCO

InChI

InChI=1S/C29H44N2O6/c1-6-11-23(20-26(33)30-15-17-36-18-16-32)27(34)31-25(29(3,4)5)21-37-28(35)24(12-7-2)19-22-13-9-8-10-14-22/h6-10,13-14,23-25,32H,1-2,11-12,15-21H2,3-5H3,(H,30,33)(H,31,34)/t23-,24-,25-/m1/s1