ethyl (2S)-2-[[3-methylbutyl-[5-methylhexanoyl(oxidanyl)carbamoyl]carbamoyl]amino]propanoate

Systemtic Name: ethyl (2S)-2-[[3-methylbutyl-[5-methylhexanoyl(oxidanyl)carbamoyl]carbamoyl]amino]propanoate Openeye Name: ethyl (2S)-2-[[[hydroxy(5-methylhexanoyl)carbamoyl]-isopentyl-carbamoyl]amino]propanoate CAS Name: (2S)-2-[[[[[hydroxy-(5-methyl-1-oxohexyl)amino]-oxomethyl]-(3-methylbutyl)amino]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[[hydroxy(5-methylhexanoyl)carbamoyl]-(3-methylbutyl)carbamoyl]amino]propanoate Traditional Name: (2S)-2-[[[hydroxy(5-methylhexanoyl)carbamoyl]-isoamyl-carbamoyl]amino]propionic acid ethyl ester Formula: C19H35N3O6 MolecularWeight: 401.4977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)N(CCC(C)C)C(=O)N(C(=O)CCCC(C)C)O

Isomeric SMILES

CCOC(=O)[C@H](C)NC(=O)N(CCC(C)C)C(=O)N(C(=O)CCCC(C)C)O

InChI

InChI=1S/C19H35N3O6/c1-7-28-17(24)15(6)20-18(25)21(12-11-14(4)5)19(26)22(27)16(23)10-8-9-13(2)3/h13-15,27H,7-12H2,1-6H3,(H,20,25)/t15-/m0/s1