(2S)-N-[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-[2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]ethanoylamino]-4-methyl-pentanamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-[2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]ethanoylamino]-4-methyl-pentanamide Openeye Name: (2S)-2-[[2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]acetyl]amino]-N-[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]-4-methyl-pentanamide CAS Name: (2S)-N-[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]-2-[[2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-4-methylpentanamide IUPAC Name: (2S)-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]-4-methylpentanamide Traditional Name: (2S)-2-[[2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]acetyl]amino]-N-[(1S)-1-carbamoyl-3-(methylthio)propyl]-4-methyl-valeramide Formula: C22H35N5O4S MolecularWeight: 465.6094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C22H35N5O4S/c1-14(2)11-18(22(31)27-17(20(24)29)9-10-32-3)26-19(28)13-25-21(30)16(23)12-15-7-5-4-6-8-15/h4-8,14,16-18H,9-13,23H2,1-3H3,(H2,24,29)(H,25,30)(H,26,28)(H,27,31)/t16-,17-,18-/m0/s1