1-[5-[bis(azanyl)methylideneamino]-2-[[3-phenyl-2-[(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]propanoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-[bis(azanyl)methylideneamino]-2-[[3-phenyl-2-[(1-pyrrolidin-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]propanoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[5-guanidino-2-[[3-phenyl-2-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[5-(diaminomethylideneamino)-1-oxo-2-[[1-oxo-2-[[oxo-[1-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolidinyl]methyl]amino]-3-phenylpropyl]amino]pentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-(diaminomethylideneamino)-2-[[3-phenyl-2-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-guanidino-2-[[3-phenyl-2-[(1-prolylprolyl)amino]propanoyl]amino]pentanoyl]proline Formula: C30H44N8O6 MolecularWeight: 612.72036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)N4CCCC4C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)N4CCCC4C(=O)O

InChI

InChI=1S/C30H44N8O6/c31-30(32)34-15-5-11-21(28(42)38-17-7-13-24(38)29(43)44)35-25(39)22(18-19-8-2-1-3-9-19)36-26(40)23-12-6-16-37(23)27(41)20-10-4-14-33-20/h1-3,8-9,20-24,33H,4-7,10-18H2,(H,35,39)(H,36,40)(H,43,44)(H4,31,32,34)