2-[[(2R)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]pent-4-enoyl]amino]ethyl (2R)-2-(phenylmethyl)hex-5-enoate

Systemtic Name: 2-[[(2R)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]pent-4-enoyl]amino]ethyl (2R)-2-(phenylmethyl)hex-5-enoate Openeye Name: 2-[[(2R)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]pent-4-enoyl]amino]ethyl (2R)-2-benzylhex-5-enoate CAS Name: (2R)-2-(phenylmethyl)-5-hexenoic acid 2-[[(2R)-2-[2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl]-1-oxopent-4-enyl]amino]ethyl ester IUPAC Name: 2-[[(2R)-2-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]pent-4-enoyl]amino]ethyl (2R)-2-benzylhex-5-enoate Traditional Name: (2R)-2-benzylhex-5-enoic acid 2-[[(2R)-2-[2-keto-2-[(2S)-2-methylolpyrrolidino]ethyl]pent-4-enoyl]amino]ethyl ester Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(CC1=CC=CC=C1)C(=O)OCCNC(=O)C(CC=C)CC(=O)N2CCCC2CO

Isomeric SMILES

C=CCC[C@H](CC1=CC=CC=C1)C(=O)OCCNC(=O)[C@H](CC=C)CC(=O)N2CCC[C@H]2CO

InChI

InChI=1S/C27H38N2O5/c1-3-5-13-23(18-21-11-7-6-8-12-21)27(33)34-17-15-28-26(32)22(10-4-2)19-25(31)29-16-9-14-24(29)20-30/h3-4,6-8,11-12,22-24,30H,1-2,5,9-10,13-20H2,(H,28,32)/t22-,23-,24+/m1/s1