(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-propanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C22H34N4O5S2 MolecularWeight: 498.65916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O5S2/c1-13(2)18(26-19(27)15(23)12-32)21(29)25-17(11-14-7-5-4-6-8-14)20(28)24-16(22(30)31)9-10-33-3/h4-8,13,15-18,32H,9-12,23H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t15-,16-,17+,18-/m0/s1