MBJ-0174

AlkaPlorer ID: AK105550

Synonym: None

IUPAC Name: 2-[3-[(2R,5R,8S,11R,14S)-14-[(4-hydroxyphenyl)methyl]-8-(2-methylpropyl)-3,6,9,12,15-pentaoxo-5,11-di(propan-2-yl)-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine

Structure

SMILES: CC(C)C[C@@H]1N=C(O)[C@@H](C(C)C)N=C(O)[C@@H](CCCNC(=N)N)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H](C(C)C)N=C1O

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InChI: InChI=1S/C31H50N8O6/c1-16(2)14-22-28(43)39-25(18(5)6)30(45)37-23(15-19-9-11-20(40)12-10-19)27(42)35-21(8-7-13-34-31(32)33)26(41)38-24(17(3)4)29(44)36-22/h9-12,16-18,21-25,40H,7-8,13-15H2,1-6H3,(H,35,42)(H,36,44)(H,37,45)(H,38,41)(H,39,43)(H4,32,33,34)/t21-,22+,23+,24-,25-/m1/s1

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InChIKey: DOAPOAHOZVKNLQ-ZLOLNMDISA-N

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Source

Properties Information

Molecule Weight: 630.7910000000002

TPSA: 245.08

MolLogP: 4.195170000000005

Number of H-Donors: 9

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information