2-[[1-oxidanylidene-6-(phenylmethoxycarbonylamino)-1-(thiophen-2-ylmethylamino)hexan-2-yl]carbamoylamino]butanedioic acid

Systemtic Name: 2-[[1-oxidanylidene-6-(phenylmethoxycarbonylamino)-1-(thiophen-2-ylmethylamino)hexan-2-yl]carbamoylamino]butanedioic acid Openeye Name: 2-[[5-(benzyloxycarbonylamino)-1-(2-thienylmethylcarbamoyl)pentyl]carbamoylamino]butanedioic acid CAS Name: 2-[[oxo-[[1-oxo-6-(phenylmethoxycarbonylamino)-1-(thiophen-2-ylmethylamino)hexan-2-yl]amino]methyl]amino]butanedioic acid IUPAC Name: 2-[[1-oxo-6-(phenylmethoxycarbonylamino)-1-(thiophen-2-ylmethylamino)hexan-2-yl]carbamoylamino]butanedioic acid Traditional Name: 2-[[5-(benzyloxycarbonylamino)-1-(2-thenylcarbamoyl)pentyl]carbamoylamino]succinic acid Formula: C24H30N4O8S MolecularWeight: 534.582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)NCC2=CC=CS2)NC(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)NCC2=CC=CS2)NC(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C24H30N4O8S/c29-20(30)13-19(22(32)33)28-23(34)27-18(21(31)26-14-17-9-6-12-37-17)10-4-5-11-25-24(35)36-15-16-7-2-1-3-8-16/h1-3,6-9,12,18-19H,4-5,10-11,13-15H2,(H,25,35)(H,26,31)(H,29,30)(H,32,33)(H2,27,28,34)