6-[[5-azanyl-3-methyl-2-[3-[5-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-2-methylsulfanyl-thiophen-3-yl]sulfonylphenyl]phenyl]carbamoylamino]hexanoic acid

Systemtic Name: 6-[[5-azanyl-3-methyl-2-[3-[5-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-2-methylsulfanyl-thiophen-3-yl]sulfonylphenyl]phenyl]carbamoylamino]hexanoic acid Openeye Name: 6-[[5-amino-2-[3-[[5-[(E)-N'-tert-butoxycarbonylcarbamimidoyl]-2-methylsulfanyl-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]carbamoylamino]hexanoic acid CAS Name: 6-[[[5-amino-2-[3-[[5-[(E)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylanilino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[5-amino-3-methyl-2-[3-[5-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-2-methylsulfanylthiophen-3-yl]sulfonylphenyl]phenyl]carbamoylamino]hexanoic acid Traditional Name: 6-[[5-amino-2-[3-[[5-[(E)-N'-tert-butoxycarbonylamidino]-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-phenyl]carbamoylamino]hexanoic acid Formula: C31H39N5O7S3 MolecularWeight: 689.86566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=NC(=O)OC(C)(C)C)N)SC)NC(=O)NCCCCCC(=O)O)N

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)/C(=N\C(=O)OC(C)(C)C)/N)SC)NC(=O)NCCCCCC(=O)O)N

InChI

InChI=1S/C31H39N5O7S3/c1-18-14-20(32)16-22(35-29(39)34-13-8-6-7-12-25(37)38)26(18)19-10-9-11-21(15-19)46(41,42)24-17-23(45-28(24)44-5)27(33)36-30(40)43-31(2,3)4/h9-11,14-17H,6-8,12-13,32H2,1-5H3,(H,37,38)(H2,33,36,40)(H2,34,35,39)