[(2S)-2-[[(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxidanylidene-ethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] (2S)-2-(phenylmethyl)pent-4-enoate

Systemtic Name: [(2S)-2-[[(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxidanylidene-ethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] (2S)-2-(phenylmethyl)pent-4-enoate Openeye Name: [(2S)-2-[[(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxo-ethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] (2S)-2-benzylpent-4-enoate CAS Name: (2S)-2-(phenylmethyl)-4-pentenoic acid [(2S)-2-[[(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-1-oxopent-4-enyl]amino]-3-(1H-indol-3-yl)propyl] ester IUPAC Name: [(2S)-2-[[(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-(1H-indol-3-yl)propyl] (2S)-2-benzylpent-4-enoate Traditional Name: (2S)-2-benzylpent-4-enoic acid [(2S)-3-(1H-indol-3-yl)-2-[[(2S)-2-[2-keto-2-[(1-methylolcyclopentyl)amino]ethyl]pent-4-enoyl]amino]propyl] ester Formula: C36H45N3O5 MolecularWeight: 599.7596

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC1=CC=CC=C1)C(=O)OCC(CC2=CNC3=CC=CC=C32)NC(=O)C(CC=C)CC(=O)NC4(CCCC4)CO

Isomeric SMILES

C=CC[C@@H](CC1=CC=CC=C1)C(=O)OC[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H](CC=C)CC(=O)NC4(CCCC4)CO

InChI

InChI=1S/C36H45N3O5/c1-3-12-27(22-33(41)39-36(25-40)18-10-11-19-36)34(42)38-30(21-29-23-37-32-17-9-8-16-31(29)32)24-44-35(43)28(13-4-2)20-26-14-6-5-7-15-26/h3-9,14-17,23,27-28,30,37,40H,1-2,10-13,18-22,24-25H2,(H,38,42)(H,39,41)/t27-,28-,30-/m0/s1