methyl (2S)-2-[[(2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-6-(benzyloxycarbonylamino)hexanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-amino-6-(benzyloxycarbonylamino)hexanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O5/c1-15(2)13-18(20(26)28-3)24-19(25)17(22)11-7-8-12-23-21(27)29-14-16-9-5-4-6-10-16/h4-6,9-10,15,17-18H,7-8,11-14,22H2,1-3H3,(H,23,27)(H,24,25)/t17-,18-/m0/s1