Ogipeptin A

AlkaPlorer ID: AK308534

Synonym: B 5529A

IUPAC Name: 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]decanamide

Structure

SMILES: C/C=C1\NC(=O)C(NC(=O)CCCCCCCCC)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

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InChI: InChI=1S/C42H78N14O11/c1-5-7-8-9-10-11-12-15-31(60)54-34-30(59)22-49-39(65)32(28(57)20-44)56-41(67)33(29(58)21-45)55-37(63)25(14-13-18-48-42(46)47)51-38(64)27(19-23(3)4)53-36(62)26(16-17-43)52-35(61)24(6-2)50-40(34)66/h6,23,25-30,32-34,57-59H,5,7-22,43-45H2,1-4H3,(H,49,65)(H,50,66)(H,51,64)(H,52,61)(H,53,62)(H,54,60)(H,55,63)(H,56,67)(H4,46,47,48)/b24-6-

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InChIKey: VMDXXLVULZDQNB-UMDHDWCXSA-N

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Reference

PubChem CID: 171120745

CAS: 868260-38-2

Properties Information

Molecule Weight: 955.1729999999992

TPSA: 433.4499999999999

MolLogP: -5.156030000000022

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