methyl (2S)-4-methyl-2-[[(E,5R)-5-(phenylmethoxycarbonylamino)hex-3-enoyl]amino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[(E,5R)-5-(phenylmethoxycarbonylamino)hex-3-enoyl]amino]pentanoate Openeye Name: methyl (2S)-2-[[(E,5R)-5-(benzyloxycarbonylamino)hex-3-enoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[(E,5R)-1-oxo-5-(phenylmethoxycarbonylamino)hex-3-enyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(E,5R)-5-(phenylmethoxycarbonylamino)hex-3-enoyl]amino]pentanoate Traditional Name: (2S)-2-[[(E,5R)-5-(benzyloxycarbonylamino)hex-3-enoyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](/C=C/CC(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H30N2O5/c1-15(2)13-18(20(25)27-4)23-19(24)12-8-9-16(3)22-21(26)28-14-17-10-6-5-7-11-17/h5-11,15-16,18H,12-14H2,1-4H3,(H,22,26)(H,23,24)/b9-8+/t16-,18+/m1/s1