(2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]butanediamide

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]butanediamide Openeye Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]butanediamide CAS Name: (2S)-2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]butanediamide IUPAC Name: (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]butanediamide Traditional Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]succinamide Formula: C19H29N5O4 MolecularWeight: 391.46466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O4/c1-11(2)8-13(20)18(27)24-15(10-16(21)25)19(28)23-14(17(22)26)9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10,20H2,1-2H3,(H2,21,25)(H2,22,26)(H,23,28)(H,24,27)/t13-,14-,15-/m0/s1