(phenylmethyl) (4S)-5-azanyl-4-[[(2R,3S)-2-azanyl-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (4S)-5-azanyl-4-[[(2R,3S)-2-azanyl-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoate Openeye Name: benzyl (4S)-5-amino-4-[[(2R,3S)-2-amino-3-methyl-pentanoyl]amino]-5-oxo-pentanoate CAS Name: (4S)-5-amino-4-[[(2R,3S)-2-amino-3-methyl-1-oxopentyl]amino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-5-amino-4-[[(2R,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoate Traditional Name: (4S)-5-amino-4-[[(2R,3S)-2-amino-3-methyl-pentanoyl]amino]-5-keto-valeric acid benzyl ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-3-12(2)16(19)18(24)21-14(17(20)23)9-10-15(22)25-11-13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11,19H2,1-2H3,(H2,20,23)(H,21,24)/t12-,14-,16+/m0/s1