ethyl (2S)-3-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoyl]amino]butanoate

Systemtic Name: ethyl (2S)-3-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoyl]amino]butanoate Openeye Name: ethyl (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pent-4-enoyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pent-4-enyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pent-4-enoyl]amino]butanoate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pent-4-enoyl]amino]-3-methyl-butyric acid ethyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=O)C(CC(=C)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H30N2O5/c1-6-27-20(25)18(15(4)5)23-19(24)17(12-14(2)3)22-21(26)28-13-16-10-8-7-9-11-16/h7-11,15,17-18H,2,6,12-13H2,1,3-5H3,(H,22,26)(H,23,24)/t17-,18-/m0/s1