(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)pentanamide Openeye Name: (2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-4-methyl-N-(4-methyl-2-oxo-chromen-7-yl)pentanamide CAS Name: (2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-4-methyl-N-(4-methyl-2-oxo-1-benzopyran-7-yl)pentanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide Traditional Name: (2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-N-(2-keto-4-methyl-chromen-7-yl)-4-methyl-valeramide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(C)C)NC(=O)C(CCSC)N

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C21H29N3O4S/c1-12(2)9-17(24-20(26)16(22)7-8-29-4)21(27)23-14-5-6-15-13(3)10-19(25)28-18(15)11-14/h5-6,10-12,16-17H,7-9,22H2,1-4H3,(H,23,27)(H,24,26)/t16-,17-/m0/s1