methyl (2S)-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S,3S)-2-(tert-butoxycarbonylamino)-3-methyl-pentyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S,3S)-2-(tert-butoxycarbonylamino)-3-methyl-pentyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C26H43N3O5S MolecularWeight: 509.70172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43N3O5S/c1-8-18(2)22(29-25(32)34-26(3,4)5)17-27-21(16-19-12-10-9-11-13-19)23(30)28-20(14-15-35-7)24(31)33-6/h9-13,18,20-22,27H,8,14-17H2,1-7H3,(H,28,30)(H,29,32)/t18-,20-,21-,22+/m0/s1