3-(4-hydroxyphenyl)-2-({1-[3-methyl-2-(4-methylbenzenesulfonamido)pentanoyl]piperidin-4-yl}formamido)propanoic acid
AlkaPlorer ID: AK175003
Synonym: None
IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[[1-[(2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperidine-4-carbonyl]amino]propanoic acid
Structure
SMILES: CC[C@@H](C)[C@H](NS(=O)(=O)C1=CC=C(C)C=C1)C(=O)N1CCC(C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)O)CC1
InChI: InChI=1S/C28H37N3O7S/c1-4-19(3)25(30-39(37,38)23-11-5-18(2)6-12-23)27(34)31-15-13-21(14-16-31)26(33)29-24(28(35)36)17-20-7-9-22(32)10-8-20/h5-12,19,21,24-25,30,32H,4,13-17H2,1-3H3,(H,29,33)(H,35,36)/t19-,24+,25+/m1/s1
InChIKey: AKEBDWOVXLNCKY-NGXZDTIWSA-N
Source
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Properties Information
Molecule Weight: 559.6850000000002
TPSA？: 153.11
MolLogP？: 2.4443200000000003
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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