(2S)-2-[(4-{[(2S,3R)-2-ammonio-3-methylpentanamido]methyl}cyclohexyl)formamido]-3-phenylpropanoate
AlkaPlorer ID: AK567353
Synonym: None
IUPAC Name: (2S)-2-[[4-[[[(2S,3R)-2-amino-3-methylpentanoyl]amino]methyl]cyclohexanecarbonyl]amino]-3-phenylpropanoic acid
Structure
SMILES: CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)CC1
InChI: InChI=1S/C23H35N3O4/c1-3-15(2)20(24)22(28)25-14-17-9-11-18(12-10-17)21(27)26-19(23(29)30)13-16-7-5-4-6-8-16/h4-8,15,17-20H,3,9-14,24H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)/t15-,17-,18-,19+,20+/m1/s1
InChIKey: XDJRPBOTYGEWOQ-XLSIIYIISA-N
Reference
SuperNatural Ⅲ: SN0427108-05
Source
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Properties Information
Molecule Weight: 417.5500000000002
TPSA？: 121.52
MolLogP？: 2.094500000000002
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
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