(4S)-5-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethylamino]-4-(methylsulfonylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-5-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethylamino]-4-(methylsulfonylamino)-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-(methanesulfonamido)-5-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethylamino]-5-oxo-pentanoic acid CAS Name: (4S)-4-(methanesulfonamido)-5-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethylamino]-5-oxopentanoic acid IUPAC Name: (4S)-4-(methanesulfonamido)-5-[2-(3-methoxy-4-pent-2-ynoxyphenyl)ethylamino]-5-oxopentanoic acid Traditional Name: (4S)-5-keto-4-(methanesulfonamido)-5-[2-(3-methoxy-4-pent-2-ynoxy-phenyl)ethylamino]valeric acid Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC1=C(C=C(C=C1)CCNC(=O)C(CCC(=O)O)NS(=O)(=O)C)OC

Isomeric SMILES

CCC#CCOC1=C(C=C(C=C1)CCNC(=O)[C@H](CCC(=O)O)NS(=O)(=O)C)OC

InChI

InChI=1S/C20H28N2O7S/c1-4-5-6-13-29-17-9-7-15(14-18(17)28-2)11-12-21-20(25)16(8-10-19(23)24)22-30(3,26)27/h7,9,14,16,22H,4,8,10-13H2,1-3H3,(H,21,25)(H,23,24)/t16-/m0/s1