4-[[5-methylhexanoyl(oxidanyl)carbamoyl]amino]butanoyl-[(1S)-1-phenylethyl]carbamic acid

Systemtic Name: 4-[[5-methylhexanoyl(oxidanyl)carbamoyl]amino]butanoyl-[(1S)-1-phenylethyl]carbamic acid Openeye Name: 4-[[hydroxy(5-methylhexanoyl)carbamoyl]amino]butanoyl-[(1S)-1-phenylethyl]carbamic acid CAS Name: [4-[[[hydroxy-(5-methyl-1-oxohexyl)amino]-oxomethyl]amino]-1-oxobutyl]-[(1S)-1-phenylethyl]carbamic acid IUPAC Name: 4-[[hydroxy(5-methylhexanoyl)carbamoyl]amino]butanoyl-[(1S)-1-phenylethyl]carbamic acid Traditional Name: 4-[[hydroxy(5-methylhexanoyl)carbamoyl]amino]butanoyl-[(1S)-1-phenylethyl]carbamic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(=O)N(C(=O)NCCCC(=O)N(C(C)C1=CC=CC=C1)C(=O)O)O

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N(C(=O)CCCNC(=O)N(C(=O)CCCC(C)C)O)C(=O)O

InChI

InChI=1S/C21H31N3O6/c1-15(2)9-7-12-19(26)24(30)20(27)22-14-8-13-18(25)23(21(28)29)16(3)17-10-5-4-6-11-17/h4-6,10-11,15-16,30H,7-9,12-14H2,1-3H3,(H,22,27)(H,28,29)/t16-/m0/s1