methyl N-[3,5-bis(2-azanyl-3-phenyl-propanoyl)-4-carbamimidoyl-pyrazol-1-yl]carbonyl-N-pyrrolidin-2-ylcarbonyl-carbamate

Systemtic Name: methyl N-[3,5-bis(2-azanyl-3-phenyl-propanoyl)-4-carbamimidoyl-pyrazol-1-yl]carbonyl-N-pyrrolidin-2-ylcarbonyl-carbamate Openeye Name: methyl N-[3,5-bis(2-amino-3-phenyl-propanoyl)-4-carbamimidoyl-pyrazole-1-carbonyl]-N-(pyrrolidine-2-carbonyl)carbamate CAS Name: N-[[3,5-bis(2-amino-1-oxo-3-phenylpropyl)-4-carbamimidoyl-1-pyrazolyl]-oxomethyl]-N-[oxo(2-pyrrolidinyl)methyl]carbamic acid methyl ester IUPAC Name: methyl N-[3,5-bis(2-amino-3-phenylpropanoyl)-4-carbamimidoylpyrazole-1-carbonyl]-N-(pyrrolidine-2-carbonyl)carbamate Traditional Name: N-(4-amidino-3,5-diphenylalanyl-pyrazole-1-carbonyl)-N-prolyl-carbamic acid methyl ester Formula: C30H34N8O6 MolecularWeight: 602.64096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(C(=O)C1CCCN1)C(=O)N2C(=C(C(=N2)C(=O)C(CC3=CC=CC=C3)N)C(=N)N)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

COC(=O)N(C(=O)C1CCCN1)C(=O)N2C(=C(C(=N2)C(=O)C(CC3=CC=CC=C3)N)C(=N)N)C(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C30H34N8O6/c1-44-30(43)37(28(41)21-13-8-14-35-21)29(42)38-24(26(40)20(32)16-18-11-6-3-7-12-18)22(27(33)34)23(36-38)25(39)19(31)15-17-9-4-2-5-10-17/h2-7,9-12,19-21,35H,8,13-16,31-32H2,1H3,(H3,33,34)