N-[5-(diaminomethylideneamino)-1-[4-nitro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopentan-2-yl]-1-[2-[(4-methylphenyl)sulfonylamino]acetyl]pyrrolidine-2-carboxamide

Base Information

• Chemical Name: N-[5-(diaminomethylideneamino)-1-[4-nitro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopentan-2-yl]-1-[2-[(4-methylphenyl)sulfonylamino]acetyl]pyrrolidine-2-carboxamide
• CAS No.: 99700-50-2
• Molecular Formula: C30H41N9O8S
• Molecular Weight: 687.8
• Mol file: 99700-50-2.mol

Synonyms:99700-50-2;tos-GPR-ANBA-IPA

Chemical Property of N-[5-(diaminomethylideneamino)-1-[4-nitro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopentan-2-yl]-1-[2-[(4-methylphenyl)sulfonylamino]acetyl]pyrrolidine-2-carboxamide

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 14
• Exact Mass: 687.27988047
• Heavy Atom Count: 48
• Complexity: 1290

Purity/Quality:

97% ^*data from raw suppliers

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• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC3=CC(=C(C=C3)[N+](=O)[O-])C(=O)NC(C)C

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