methyl (2S)-4-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate Openeye Name: methyl (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5/c1-6-15(4)18(19(24)22-17(12-14(2)3)20(25)27-5)23-21(26)28-13-16-10-8-7-9-11-16/h7-11,14-15,17-18H,6,12-13H2,1-5H3,(H,22,24)(H,23,26)/t15?,17-,18?/m0/s1