methyl (2S)-2-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)N)NC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C16H23N3O4/c1-10(2)13(14(17)20)19-16(22)18-12(15(21)23-3)9-11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3,(H2,17,20)(H2,18,19,22)/t12-,13-/m0/s1