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

Systemtic Name: 1-[2-[[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[6-amino-2-[(2-amino-3-phenyl-propanoyl)amino]hexanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[6-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[6-amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[6-amino-2-(phenylalanylamino)hexanoyl]amino]-3-phenyl-propanoyl]proline Formula: C29H39N5O5 MolecularWeight: 537.65046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C(CC3=CC=CC=C3)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C(CC3=CC=CC=C3)N)C(=O)O

InChI

InChI=1S/C29H39N5O5/c30-16-8-7-14-23(32-26(35)22(31)18-20-10-3-1-4-11-20)27(36)33-24(19-21-12-5-2-6-13-21)28(37)34-17-9-15-25(34)29(38)39/h1-6,10-13,22-25H,7-9,14-19,30-31H2,(H,32,35)(H,33,36)(H,38,39)