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

Systemtic Name: 2-[[(2S)-2-[[(3R)-4-[[(2S)-2-azanyl-3-methylsulfanyl-propyl]amino]-3-methyl-butyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[(2S)-2-[[(3R)-4-[[(2S)-2-amino-3-methylsulfanyl-propyl]amino]-3-methyl-butyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(2S)-2-[[(3R)-4-[[(2S)-2-amino-3-(methylthio)propyl]amino]-3-methylbutyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[(2S)-2-[[(3R)-4-[[(2S)-2-amino-3-methylsulfanylpropyl]amino]-3-methylbutyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[(2S)-2-[[(3R)-4-[[(2S)-2-amino-3-(methylthio)propyl]amino]-3-methyl-butyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C23H40N4O3S2 MolecularWeight: 484.7187

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O)CNCC(CSC)N

Isomeric SMILES

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

InChI

InChI=1S/C23H40N4O3S2/c1-17(14-25-15-19(24)16-32-3)9-11-26-21(13-18-7-5-4-6-8-18)22(28)27-20(23(29)30)10-12-31-2/h4-8,17,19-21,25-26H,9-16,24H2,1-3H3,(H,27,28)(H,29,30)/t17-,19+,20?,21+/m1/s1