(4S,5S)-7-methyl-N-[1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]-5-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-4-oxidanyl-octanamide

Systemtic Name: (4S,5S)-7-methyl-N-[1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]-5-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-4-oxidanyl-octanamide Openeye Name: (4S,5S)-4-hydroxy-N-[2-(isopentylamino)-1-methyl-2-oxo-ethyl]-7-methyl-5-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]octanamide CAS Name: (4S,5S)-4-hydroxy-7-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]-5-[[3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]octanamide IUPAC Name: (4S,5S)-4-hydroxy-7-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]-5-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]octanamide Traditional Name: (4S,5S)-4-hydroxy-N-[2-(isoamylamino)-2-keto-1-methyl-ethyl]-5-[[2-(isovalerylamino)-3-methyl-butanoyl]amino]-7-methyl-caprylamide Formula: C27H52N4O5 MolecularWeight: 512.72558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C)NC(=O)CCC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

Isomeric SMILES

CC(C)CCNC(=O)C(C)NC(=O)CC[C@@H]([C@H](CC(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

InChI

InChI=1S/C27H52N4O5/c1-16(2)12-13-28-26(35)20(9)29-23(33)11-10-22(32)21(14-17(3)4)30-27(36)25(19(7)8)31-24(34)15-18(5)6/h16-22,25,32H,10-15H2,1-9H3,(H,28,35)(H,29,33)(H,30,36)(H,31,34)/t20?,21-,22-,25?/m0/s1