1-[2-[[5-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]-5-oxidanylidene-pentanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[5-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]-5-oxidanylidene-pentanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[5-amino-2-[(2-amino-3-phenyl-propanoyl)amino]-5-oxo-pentanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[5-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1,5-dioxopentyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[5-amino-2-[(2-amino-3-phenylpropanoyl)amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[5-amino-5-keto-2-(phenylalanylamino)pentanoyl]amino]acetyl]proline Formula: C21H29N5O6 MolecularWeight: 447.48486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C21H29N5O6/c22-14(11-13-5-2-1-3-6-13)19(29)25-15(8-9-17(23)27)20(30)24-12-18(28)26-10-4-7-16(26)21(31)32/h1-3,5-6,14-16H,4,7-12,22H2,(H2,23,27)(H,24,30)(H,25,29)(H,31,32)