Calcium-dependent antibiotic

AlkaPlorer ID: AK004109

Synonym: 'calcium dependent antibiotic', 'Calcium-dependent antibiotic', 'CDA4b'

IUPAC Name: None

Structure

SMILES: CCCC1OC1C(O)=N[C@@H](CO)C(O)=N[C@@H]1C(O)=N[C@H](CC2=CNC3=CC=CC=C23)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C2=CC=C(O)C=C2)C(O)=N[C@@H](CC(=O)O)C(O)=NCC(O)=N[C@H]([C@H](O)C(=N)O)C(O)=N[C@@H](C(C)CC(=O)O)C(O)=N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)OC1C

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InChI: InChI=1S/C67H80N14O26/c1-4-9-44-55(107-44)66(104)77-43(27-82)61(99)80-51-29(3)106-67(105)42(20-32-25-70-37-13-8-6-11-35(32)37)76-62(100)50(28(2)18-46(85)86)79-65(103)53(54(93)56(68)94)78-45(84)26-71-57(95)39(21-47(87)88)75-64(102)52(30-14-16-33(83)17-15-30)81-60(98)41(23-49(91)92)73-59(97)40(22-48(89)90)72-58(96)38(74-63(51)101)19-31-24-69-36-12-7-5-10-34(31)36/h5-8,10-17,24-25,28-29,38-44,50-55,69-70,82-83,93H,4,9,18-23,26-27H2,1-3H3,(H2,68,94)(H,71,95)(H,72,96)(H,73,97)(H,74,101)(H,75,102)(H,76,100)(H,77,104)(H,78,84)(H,79,103)(H,80,99)(H,81,98)(H,85,86)(H,87,88)(H,89,90)(H,91,92)/t28?,29?,38-,39+,40+,41+,42+,43+,44?,50+,51+,52-,53-,54+,55?/m1/s1

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InChIKey: XBPJBGYZBLYHLT-WSMHCRMLSA-N

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Properties Information

Molecule Weight: 1497.4490000000003

TPSA: 682.8700000000003

MolLogP: 4.656370000000017

Number of H-Donors: 22

Number of H-Acceptors: 22

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information