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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C(C2=CC=CC=C2C(=O)NCC(=O)O)NC(=O)C3=CC=CC=C3N=C(N)N)S(=O)(=O)C=CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC1C(C2=CC=CC=C2C(=O)NCC(=O)O)NC(=O)C3=CC=CC=C3N=C(N)N)S(=O)(=O)/C=C/C4=CC=C(C=C4)Cl

InChI

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