Amonabactin P 750

AlkaPlorer ID: AK077894

Synonym: None

IUPAC Name: (2R)-2-[[(2S)-2-[[(2S)-2-amino-6-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]hexanoyl]amino]-6-[(2,3-dihydroxybenzoyl)amino]hexanoyl]amino]-3-phenylpropanoic acid

Structure

SMILES: N[C@@H](CCCCN=C(O)CN=C(O)C1=CC=CC(O)=C1O)C(O)=N[C@@H](CCCCN=C(O)C1=CC=CC(O)=C1O)C(O)=N[C@H](CC1=CC=CC=C1)C(=O)O

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InChI: InChI=1S/C37H46N6O11/c38-25(14-4-6-18-39-30(46)21-41-34(50)24-13-9-17-29(45)32(24)48)35(51)42-26(36(52)43-27(37(53)54)20-22-10-2-1-3-11-22)15-5-7-19-40-33(49)23-12-8-16-28(44)31(23)47/h1-3,8-13,16-17,25-27,44-45,47-48H,4-7,14-15,18-21,38H2,(H,39,46)(H,40,49)(H,41,50)(H,42,51)(H,43,52)(H,53,54)/t25-,26-,27+/m0/s1

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InChIKey: AQVANOYBWBHIEH-GMQQYTKMSA-N

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Source

Properties Information

Molecule Weight: 750.8060000000004

TPSA: 307.19

MolLogP: 4.420300000000003

Number of H-Donors: 11

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information