(4S)-4-[[(2S)-3-(4-carbamimidoylphenyl)-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-5-oxidanylidene-5-[[3-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]methylamino]pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-3-(4-carbamimidoylphenyl)-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-5-oxidanylidene-5-[[3-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]methylamino]pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-(allyloxycarbonylamino)-3-(4-carbamimidoylphenyl)propanoyl]amino]-5-oxo-5-[[3-[[[(E)-styryl]sulfonylamino]methyl]phenyl]methylamino]pentanoic acid CAS Name: (4S)-4-[[(2S)-3-(4-carbamimidoylphenyl)-1-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]propyl]amino]-5-oxo-5-[[3-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]methylamino]pentanoic acid IUPAC Name: (4S)-4-[[(2S)-3-(4-carbamimidoylphenyl)-2-(prop-2-enoxycarbonylamino)propanoyl]amino]-5-oxo-5-[[3-[[[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl]methylamino]pentanoic acid Traditional Name: (4S)-4-[[(2S)-2-(allyloxycarbonylamino)-3-(4-amidinophenyl)propanoyl]amino]-5-keto-5-[[3-[[[(E)-styryl]sulfonylamino]methyl]benzyl]amino]valeric acid Formula: C35H40N6O8S MolecularWeight: 704.7925

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)NC(CC1=CC=C(C=C1)C(=N)N)C(=O)NC(CCC(=O)O)C(=O)NCC2=CC(=CC=C2)CNS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C=CCOC(=O)N[C@@H](CC1=CC=C(C=C1)C(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC2=CC(=CC=C2)CNS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C35H40N6O8S/c1-2-18-49-35(46)41-30(21-25-11-13-28(14-12-25)32(36)37)34(45)40-29(15-16-31(42)43)33(44)38-22-26-9-6-10-27(20-26)23-39-50(47,48)19-17-24-7-4-3-5-8-24/h2-14,17,19-20,29-30,39H,1,15-16,18,21-23H2,(H3,36,37)(H,38,44)(H,40,45)(H,41,46)(H,42,43)/b19-17+/t29-,30-/m0/s1