(2R)-2-{[(3R,4R,5R)-3-{[(2-bromophenyl)carbamoyl]amino}-4,5-dihydroxycyclohex-1-en-1-yl]formamido}propanamide
AlkaPlorer ID: AK154402
Synonym: None
IUPAC Name: (3R,4R,5R)-N-[(2R)-1-amino-1-oxopropan-2-yl]-3-[(2-bromophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide
Structure
SMILES: C[C@@H](NC(=O)C1=C[C@@H](NC(=O)NC2=CC=CC=C2Br)[C@@H](O)[C@H](O)C1)C(N)=O
InChI: InChI=1S/C17H21BrN4O5/c1-8(15(19)25)20-16(26)9-6-12(14(24)13(23)7-9)22-17(27)21-11-5-3-2-4-10(11)18/h2-6,8,12-14,23-24H,7H2,1H3,(H2,19,25)(H,20,26)(H2,21,22,27)/t8-,12-,13-,14-/m1/s1
InChIKey: HUROVTVOVFFGNT-HKSFMPNISA-N
Reference
Marine natural products: metabolites of marine invertebrates
PubChem CID: 7049366
SuperNatural Ⅲ: SN0135947-01
Source
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Properties Information
Molecule Weight: 441.2820000000001
TPSA？: 153.78
MolLogP？: -0.0189000000000002
Number of H-Donors: 6
Number of H-Acceptors: 5
RingCount: 2
Activities Information
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