ethyl (2S)-2-[2-azanylethanoyl-(4-carbamimidoylphenyl)sulfonyl-amino]-3-(4-carbamimidoylphenyl)propanoate

Systemtic Name: ethyl (2S)-2-[2-azanylethanoyl-(4-carbamimidoylphenyl)sulfonyl-amino]-3-(4-carbamimidoylphenyl)propanoate Openeye Name: ethyl (2S)-2-[(2-aminoacetyl)-(4-carbamimidoylphenyl)sulfonyl-amino]-3-(4-carbamimidoylphenyl)propanoate CAS Name: (2S)-2-[(2-amino-1-oxoethyl)-(4-carbamimidoylphenyl)sulfonylamino]-3-(4-carbamimidoylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2-aminoacetyl)-(4-carbamimidoylphenyl)sulfonylamino]-3-(4-carbamimidoylphenyl)propanoate Traditional Name: (2S)-3-(4-amidinophenyl)-2-[(4-amidinophenyl)sulfonyl-glycyl-amino]propionic acid ethyl ester Formula: C21H26N6O5S MolecularWeight: 474.53334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C(=N)N)N(C(=O)CN)S(=O)(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)C(=N)N)N(C(=O)CN)S(=O)(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H26N6O5S/c1-2-32-21(29)17(11-13-3-5-14(6-4-13)19(23)24)27(18(28)12-22)33(30,31)16-9-7-15(8-10-16)20(25)26/h3-10,17H,2,11-12,22H2,1H3,(H3,23,24)(H3,25,26)/t17-/m0/s1