2-(2-hydroxyethylcarbamoylamino)-N-[4-[[[2-(2-hydroxyethylcarbamoylamino)-3-methyl-butanoyl]amino]-(thiophen-2-ylmethyl)amino]-2-oxidanyl-1-phenyl-butyl]-3-methyl-butanamide

Systemtic Name: 2-(2-hydroxyethylcarbamoylamino)-N-[4-[[[2-(2-hydroxyethylcarbamoylamino)-3-methyl-butanoyl]amino]-(thiophen-2-ylmethyl)amino]-2-oxidanyl-1-phenyl-butyl]-3-methyl-butanamide Openeye Name: 2-(2-hydroxyethylcarbamoylamino)-N-[2-hydroxy-4-[[[2-(2-hydroxyethylcarbamoylamino)-3-methyl-butanoyl]amino]-(2-thienylmethyl)amino]-1-phenyl-butyl]-3-methyl-butanamide CAS Name: 2-[[(2-hydroxyethylamino)-oxomethyl]amino]-N-[2-hydroxy-4-[[[2-[[(2-hydroxyethylamino)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-(thiophen-2-ylmethyl)amino]-1-phenylbutyl]-3-methylbutanamide IUPAC Name: 2-(2-hydroxyethylcarbamoylamino)-N-[2-hydroxy-4-[[[2-(2-hydroxyethylcarbamoylamino)-3-methylbutanoyl]amino]-(thiophen-2-ylmethyl)amino]-1-phenylbutyl]-3-methylbutanamide Traditional Name: 2-(2-hydroxyethylcarbamoylamino)-N-[2-hydroxy-4-[[[2-(2-hydroxyethylcarbamoylamino)-3-methyl-butanoyl]amino]-(2-thenyl)amino]-1-phenyl-butyl]-3-methyl-butyramide Formula: C31H49N7O7S MolecularWeight: 663.82846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C1=CC=CC=C1)C(CCN(CC2=CC=CS2)NC(=O)C(C(C)C)NC(=O)NCCO)O)NC(=O)NCCO

Isomeric SMILES

CC(C)C(C(=O)NC(C1=CC=CC=C1)C(CCN(CC2=CC=CS2)NC(=O)C(C(C)C)NC(=O)NCCO)O)NC(=O)NCCO

InChI

InChI=1S/C31H49N7O7S/c1-20(2)25(35-30(44)32-13-16-39)28(42)34-27(22-9-6-5-7-10-22)24(41)12-15-38(19-23-11-8-18-46-23)37-29(43)26(21(3)4)36-31(45)33-14-17-40/h5-11,18,20-21,24-27,39-41H,12-17,19H2,1-4H3,(H,34,42)(H,37,43)(H2,32,35,44)(H2,33,36,45)