methyl (2S,3S)-2-[[(2S)-2-[[(2S)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[[(2S)-2-[[(2S)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-methoxyphenyl)propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2S)-2-[[(2S)-3-(4-methoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-methylamino]-1-oxopropyl]-methylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[(2S)-2-[[(2S)-3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methylamino]propanoyl]-methylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(4-methoxyphenyl)propanoyl]-methyl-amino]propanoyl]-methyl-amino]-3-methyl-valeric acid methyl ester Formula: C27H43N3O7 MolecularWeight: 521.64622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N3O7/c1-11-17(2)22(25(33)36-10)30(8)23(31)18(3)29(7)24(32)21(28-26(34)37-27(4,5)6)16-19-12-14-20(35-9)15-13-19/h12-15,17-18,21-22H,11,16H2,1-10H3,(H,28,34)/t17-,18-,21-,22-/m0/s1