3-[[1-[bis(thiophen-2-ylmethyl)amino]-1-oxidanylidene-hexan-2-yl]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[1-[bis(thiophen-2-ylmethyl)amino]-1-oxidanylidene-hexan-2-yl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[1-[bis(2-thienylmethyl)carbamoyl]pentylcarbamoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[[[1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]amino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 3-[1-[bis(2-thenyl)carbamoyl]pentylcarbamoylamino]-3-phenyl-propionic acid Formula: C26H31N3O4S2 MolecularWeight: 513.67204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N(CC1=CC=CS1)CC2=CC=CS2)NC(=O)NC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)N(CC1=CC=CS1)CC2=CC=CS2)NC(=O)NC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C26H31N3O4S2/c1-2-3-13-22(27-26(33)28-23(16-24(30)31)19-9-5-4-6-10-19)25(32)29(17-20-11-7-14-34-20)18-21-12-8-15-35-21/h4-12,14-15,22-23H,2-3,13,16-18H2,1H3,(H,30,31)(H2,27,28,33)