Ogipeptin A; N-(5Z-Dodecenoyl) analogue (R = -CO(CH2)3CH=CH(CH2)5CH3) 

AlkaPlorer ID: AK308536

Synonym: Ogipeptin B, B 5529B

IUPAC Name: (E)-N-[(18Z)-15-(2-aminoethyl)-3,6-bis(2-amino-1-hydroxyethyl)-9-[3-(diaminomethylideneamino)propyl]-18-ethylidene-22-hydroxy-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]dodec-5-enamide

Structure

SMILES: C/C=C1\NC(=O)C(NC(=O)CCC/C=C/CCCCCC)C(O)CNC(=O)C(C(O)CN)NC(=O)C(C(O)CN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCN)NC1=O

copy

InChI: InChI=1S/C44H80N14O11/c1-5-7-8-9-10-11-12-13-14-17-33(62)56-36-32(61)24-51-41(67)34(30(59)22-46)58-43(69)35(31(60)23-47)57-39(65)27(16-15-20-50-44(48)49)53-40(66)29(21-25(3)4)55-38(64)28(18-19-45)54-37(63)26(6-2)52-42(36)68/h6,11-12,25,27-32,34-36,59-61H,5,7-10,13-24,45-47H2,1-4H3,(H,51,67)(H,52,68)(H,53,66)(H,54,63)(H,55,64)(H,56,62)(H,57,65)(H,58,69)(H4,48,49,50)/b12-11+,26-6-

copy

InChIKey: OTQQLALSUYCSEA-YXWNMIOOSA-N

copy

Reference

PubChem CID: 171120746

CAS: 868260-39-3

Properties Information

Molecule Weight: 981.2109999999992

TPSA: 433.4499999999999

MolLogP: -4.599830000000025

Number of H-Donors: 17

Number of H-Acceptors: 15

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information