(3S,4R)-N-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]-4-[[(2S)-3-methyl-2-[[(2R)-2-(3-methylbutanoylamino)-3-methylsulfanyl-propanoyl]amino]butanoyl]amino]-5-methylsulfanyl-3-oxidanyl-pentanamide

Systemtic Name: (3S,4R)-N-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]-4-[[(2S)-3-methyl-2-[[(2R)-2-(3-methylbutanoylamino)-3-methylsulfanyl-propanoyl]amino]butanoyl]amino]-5-methylsulfanyl-3-oxidanyl-pentanamide Openeye Name: (3S,4R)-3-hydroxy-N-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]-4-[[(2S)-3-methyl-2-[[(2R)-2-(3-methylbutanoylamino)-3-methylsulfanyl-propanoyl]amino]butanoyl]amino]-5-methylsulfanyl-pentanamide CAS Name: (3S,4R)-3-hydroxy-N-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-4-[[(2S)-3-methyl-2-[[(2R)-2-[(3-methyl-1-oxobutyl)amino]-3-(methylthio)-1-oxopropyl]amino]-1-oxobutyl]amino]-5-(methylthio)pentanamide IUPAC Name: (3S,4R)-3-hydroxy-N-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-4-[[(2S)-3-methyl-2-[[(2R)-2-(3-methylbutanoylamino)-3-methylsulfanylpropanoyl]amino]butanoyl]amino]-5-methylsulfanylpentanamide Traditional Name: (3S,4R)-3-hydroxy-N-[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]-4-[[(2S)-2-[[(2R)-2-(isovalerylamino)-3-(methylthio)propanoyl]amino]-3-methyl-butanoyl]amino]-5-(methylthio)valeramide Formula: C28H53N5O6S2 MolecularWeight: 619.88032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NCCC(C)C)NC(=O)C[C@@H]([C@H](CSC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSC)NC(=O)CC(C)C)O

InChI

InChI=1S/C28H53N5O6S2/c1-16(2)10-11-29-26(37)19(7)30-24(36)13-22(34)20(14-40-8)32-28(39)25(18(5)6)33-27(38)21(15-41-9)31-23(35)12-17(3)4/h16-22,25,34H,10-15H2,1-9H3,(H,29,37)(H,30,36)(H,31,35)(H,32,39)(H,33,38)/t19-,20-,21-,22-,25-/m0/s1