2-[[2-[[[4-[bis(azanyl)methylideneamino]phenyl]carbonyl-[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]amino]methyl]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-[[[4-[bis(azanyl)methylideneamino]phenyl]carbonyl-[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]amino]methyl]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-[[[1-[(E)-2-(4-chlorophenyl)vinyl]sulfonylpyrrolidin-3-yl]-(4-guanidinobenzoyl)amino]methyl]benzoyl]amino]acetic acid CAS Name: 2-[[[2-[[[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-3-pyrrolidinyl]-[[4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-[[[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]-[4-(diaminomethylideneamino)benzoyl]amino]methyl]benzoyl]amino]acetic acid Traditional Name: 2-[[2-[[[1-[(E)-2-(4-chlorophenyl)vinyl]sulfonylpyrrolidin-3-yl]-(4-guanidinobenzoyl)amino]methyl]benzoyl]amino]acetic acid Formula: C30H31ClN6O6S MolecularWeight: 639.12174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N(CC2=CC=CC=C2C(=O)NCC(=O)O)C(=O)C3=CC=C(C=C3)N=C(N)N)S(=O)(=O)C=CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC1N(CC2=CC=CC=C2C(=O)NCC(=O)O)C(=O)C3=CC=C(C=C3)N=C(N)N)S(=O)(=O)/C=C/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H31ClN6O6S/c31-23-9-5-20(6-10-23)14-16-44(42,43)36-15-13-25(19-36)37(29(41)21-7-11-24(12-8-21)35-30(32)33)18-22-3-1-2-4-26(22)28(40)34-17-27(38)39/h1-12,14,16,25H,13,15,17-19H2,(H,34,40)(H,38,39)(H4,32,33,35)/b16-14+