N-[(2S)-5-azanyl-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]benzamide chloride

Systemtic Name: N-[(2S)-5-azanyl-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]benzamide chloride Openeye Name: N-[(1S)-4-amino-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]butyl]benzamide chloride CAS Name: N-[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]benzamide chloride IUPAC Name: N-[(2S)-5-amino-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]benzamide chloride Traditional Name: N-[(1S)-4-amino-1-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]butyl]benzamide chloride Formula: C21H26ClN4O3- MolecularWeight: 417.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CCCN)NC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN)NC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C21H26N4O3.ClH/c22-13-7-12-17(24-20(27)16-10-5-2-6-11-16)21(28)25-18(19(23)26)14-15-8-3-1-4-9-15;/h1-6,8-11,17-18H,7,12-14,22H2,(H2,23,26)(H,24,27)(H,25,28);1H/p-1/t17-,18-;/m0./s1