methyl (2S)-2-[[4-[3-(cyclopentylcarbonylamino)-3-ethyl-pent-1-ynyl]phenyl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[4-[3-(cyclopentylcarbonylamino)-3-ethyl-pent-1-ynyl]phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[4-[3-(cyclopentanecarbonylamino)-3-ethyl-pent-1-ynyl]benzoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-[3-[[cyclopentyl(oxo)methyl]amino]-3-ethylpent-1-ynyl]phenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[3-(cyclopentanecarbonylamino)-3-ethylpent-1-ynyl]benzoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-[3-(cyclopentanecarbonylamino)-3-ethyl-pent-1-ynyl]benzoyl]amino]-4-methyl-valeric acid methyl ester Formula: C27H33N2O4 MolecularWeight: 449.56192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC1=CC=C(C=C1)C(=O)NC(CC(C)C)C(=O)OC)NC(=O)[C]2[CH][CH][CH][CH]2

Isomeric SMILES

CCC(CC)(C#CC1=CC=C(C=C1)C(=O)N[C@@H](CC(C)C)C(=O)OC)NC(=O)[C]2[CH][CH][CH][CH]2

InChI

InChI=1S/C27H33N2O4/c1-6-27(7-2,29-25(31)21-10-8-9-11-21)17-16-20-12-14-22(15-13-20)24(30)28-23(18-19(3)4)26(32)33-5/h8-15,19,23H,6-7,18H2,1-5H3,(H,28,30)(H,29,31)/t23-/m0/s1