(4S)-5-amino-4-[[(3R,4R,5R)-4,5-dihydroxy-3-[(4-methylphenyl)carbamoylamino]cyclohexene-1-carbonyl]amino]-5-oxopentanoic acid
AlkaPlorer ID: AK586907
Synonym: None
IUPAC Name: (4S)-5-amino-4-[[(3R,4R,5R)-4,5-dihydroxy-3-[(4-methylphenyl)carbamoylamino]cyclohexene-1-carbonyl]amino]-5-oxopentanoic acid
Structure
SMILES: CC1=CC=C(NC(=O)N[C@@H]2C=C(C(=O)N[C@@H](CCC(=O)O)C(N)=O)C[C@@H](O)[C@@H]2O)C=C1
InChI: InChI=1S/C20H26N4O7/c1-10-2-4-12(5-3-10)22-20(31)24-14-8-11(9-15(25)17(14)28)19(30)23-13(18(21)29)6-7-16(26)27/h2-5,8,13-15,17,25,28H,6-7,9H2,1H3,(H2,21,29)(H,23,30)(H,26,27)(H2,22,24,31)/t13-,14+,15+,17+/m0/s1
InChIKey: YXAFTOWPHRUJFB-KLZNWCGWSA-N
Reference
Benzopyran derivatives from the aerial parts of Eriostemon rhomboideus
PubChem CID: 11882546
Source
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Properties Information
Molecule Weight: 434.4490000000002
TPSA？: 191.08
MolLogP？: -0.6280799999999984
Number of H-Donors: 7
Number of H-Acceptors: 6
RingCount: 2
Activities Information
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