(2S)-6-azanyl-2-[[(2R)-1-(2-methylpropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2R)-1-(2-methylpropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(1R)-1-benzyl-2-(isobutylamino)-2-oxo-ethyl]carbamoylamino]hexanoic acid CAS Name: (2S)-6-amino-2-[[[[(2R)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2R)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(1R)-1-benzyl-2-(isobutylamino)-2-keto-ethyl]carbamoylamino]hexanoic acid Formula: C20H32N4O4 MolecularWeight: 392.49248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(CC1=CC=CC=C1)NC(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O4/c1-14(2)13-22-18(25)17(12-15-8-4-3-5-9-15)24-20(28)23-16(19(26)27)10-6-7-11-21/h3-5,8-9,14,16-17H,6-7,10-13,21H2,1-2H3,(H,22,25)(H,26,27)(H2,23,24,28)/t16-,17+/m0/s1