3,4-bis(2-azanyl-3-phenyl-propanoyl)-5-[bis(azanyl)methylidene]-N-methylsulfonyl-N-pyrrolidin-2-ylcarbonyl-pyrrole-2-carboxamide

Systemtic Name: 3,4-bis(2-azanyl-3-phenyl-propanoyl)-5-[bis(azanyl)methylidene]-N-methylsulfonyl-N-pyrrolidin-2-ylcarbonyl-pyrrole-2-carboxamide Openeye Name: 3,4-bis(2-amino-3-phenyl-propanoyl)-5-(diaminomethylene)-N-methylsulfonyl-N-(pyrrolidine-2-carbonyl)pyrrole-2-carboxamide CAS Name: 3,4-bis(2-amino-1-oxo-3-phenylpropyl)-5-(diaminomethylidene)-N-methylsulfonyl-N-[oxo(2-pyrrolidinyl)methyl]-2-pyrrolecarboxamide IUPAC Name: 3,4-bis(2-amino-3-phenylpropanoyl)-5-(diaminomethylidene)-N-methylsulfonyl-N-(pyrrolidine-2-carbonyl)pyrrole-2-carboxamide Traditional Name: 5-(diaminomethylene)-N-mesyl-3,4-diphenylalanyl-N-prolyl-pyrrole-2-carboxamide Formula: C30H35N7O6S MolecularWeight: 621.7072

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C(=O)C1CCCN1)C(=O)C2=NC(=C(N)N)C(=C2C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

CS(=O)(=O)N(C(=O)C1CCCN1)C(=O)C2=NC(=C(N)N)C(=C2C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C30H35N7O6S/c1-44(42,43)37(29(40)21-13-8-14-35-21)30(41)25-23(27(39)20(32)16-18-11-6-3-7-12-18)22(24(36-25)28(33)34)26(38)19(31)15-17-9-4-2-5-10-17/h2-7,9-12,19-21,35H,8,13-16,31-34H2,1H3