1-[2-[[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[6-amino-2-[(2-amino-3-phenyl-propanoyl)amino]hexanoyl]amino]-4-hydroxy-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[6-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxohexyl]amino]-4-hydroxy-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[6-amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoyl]amino]-4-hydroxy-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[6-amino-2-(phenylalanylamino)hexanoyl]amino]-4-hydroxy-4-keto-butanoyl]proline Formula: C24H35N5O7 MolecularWeight: 505.564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N5O7/c25-11-5-4-9-17(27-21(32)16(26)13-15-7-2-1-3-8-15)22(33)28-18(14-20(30)31)23(34)29-12-6-10-19(29)24(35)36/h1-3,7-8,16-19H,4-6,9-14,25-26H2,(H,27,32)(H,28,33)(H,30,31)(H,35,36)