(2S)-2-[[(2R)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2R)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2R)-3-methyl-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2R)-3-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C25H39N3O6S MolecularWeight: 509.65866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCSC)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O6S/c1-7-16(2)20(22(30)26-19(23(31)32)15-17-11-9-8-10-12-17)28-21(29)18(13-14-35-6)27-24(33)34-25(3,4)5/h8-12,16,18-20H,7,13-15H2,1-6H3,(H,26,30)(H,27,33)(H,28,29)(H,31,32)/t16?,18-,19-,20+/m0/s1