(2S)-N-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-(2-phenylethanoylamino)pentanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]-1-[(2S)-5-[bis(azanyl)methylideneamino]-2-(2-phenylethanoylamino)pentanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1R)-2-amino-1-methyl-2-oxo-ethyl]-1-[(2S)-5-(diaminomethyleneamino)-2-[(2-phenylacetyl)amino]pentanoyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2R)-1-amino-1-oxopropan-2-yl]-1-[(2S)-5-(diaminomethylideneamino)-1-oxo-2-[(1-oxo-2-phenylethyl)amino]pentyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2R)-1-amino-1-oxopropan-2-yl]-1-[(2S)-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanoyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1R)-2-amino-2-keto-1-methyl-ethyl]-1-[(2S)-5-(diaminomethyleneamino)-2-[(2-phenylacetyl)amino]pentanoyl]pyrrolidine-2-carboxamide Formula: C22H33N7O4 MolecularWeight: 471.497172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1[14C](=O)[14C@H]([14CH2][14CH2][14CH2]N=[14C](N)N)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H33N7O4/c1-14(19(23)31)27-20(32)17-10-6-12-29(17)21(33)16(9-5-11-26-22(24)25)28-18(30)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3,(H2,23,31)(H,27,32)(H,28,30)(H4,24,25,26)/t14-,16+,17+/m1/s1/i5+2,9+2,11+2,16+2,21+2,22+2