(2R)-2-azanyl-N-[(2S)-1-[[(3S)-7-azanyl-2-oxidanylidene-heptan-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-butanamide

Systemtic Name: (2R)-2-azanyl-N-[(2S)-1-[[(3S)-7-azanyl-2-oxidanylidene-heptan-3-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-methyl-butanamide Openeye Name: (2R)-N-[(1S)-2-[[(1S)-1-acetyl-5-amino-pentyl]amino]-1-benzyl-2-oxo-ethyl]-2-amino-3-methyl-butanamide CAS Name: (2R)-2-amino-N-[(2S)-1-[[(3S)-7-amino-2-oxoheptan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide IUPAC Name: (2R)-2-amino-N-[(2S)-1-[[(3S)-7-amino-2-oxoheptan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide Traditional Name: (2R)-N-[(1S)-2-[[(1S)-1-acetyl-5-amino-pentyl]amino]-1-benzyl-2-keto-ethyl]-2-amino-3-methyl-butyramide Formula: C21H34N4O3 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N4O3/c1-14(2)19(23)21(28)25-18(13-16-9-5-4-6-10-16)20(27)24-17(15(3)26)11-7-8-12-22/h4-6,9-10,14,17-19H,7-8,11-13,22-23H2,1-3H3,(H,24,27)(H,25,28)/t17-,18-,19+/m0/s1