Gobichelin A

AlkaPlorer ID: AK299600

Synonym: None

IUPAC Name: N-[1-[[6-amino-1-[[3-hydroxy-1-[(1-hydroxy-2-oxopiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

Structure

SMILES: NCCCCC(NC(=O)C(CC1=CN=CN1)NC(=O)C1COC(C2=CC=CC=C2O)=N1)C(=O)NC(CO)C(=O)NC1CCCN(O)C1=O

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InChI: InChI=1S/C30H41N9O9/c31-10-4-3-7-19(25(42)37-22(14-40)27(44)35-20-8-5-11-39(47)30(20)46)34-26(43)21(12-17-13-32-16-33-17)36-28(45)23-15-48-29(38-23)18-6-1-2-9-24(18)41/h1-2,6,9,13,16,19-23,40-41,47H,3-5,7-8,10-12,14-15,31H2,(H,32,33)(H,34,43)(H,35,44)(H,36,45)(H,37,42)

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InChIKey: LRVQAPVXSPHVLF-UHFFFAOYSA-N

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Reference

PubChem CID: 162986340

COCONUT: CNP0258878.1

Properties Information

Molecule Weight: 671.7120000000001

TPSA: 273.68999999999994

MolLogP: -2.424499999999989

Number of H-Donors: 9

Number of H-Acceptors: 12

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information