methyl (2S)-2-[[(2S)-5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-5-azanyl-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-5-amino-2-(benzyloxycarbonylamino)-5-oxo-pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-5-amino-1,5-dioxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-5-amino-2-(benzyloxycarbonylamino)-5-keto-pentanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H29N3O6 MolecularWeight: 407.46076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O6/c1-13(2)11-16(19(26)28-3)22-18(25)15(9-10-17(21)24)23-20(27)29-12-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H2,21,24)(H,22,25)(H,23,27)/t15-,16-/m0/s1