Kistamicin B

AlkaPlorer ID: AK303630

Synonym: None

IUPAC Name: None

Structure

SMILES: O=C(NCCC1=CC=CC=C1)NC(CC1=CC=C(O)C=C1)C(=O)NC1CC2=CNC3=CC(=CC=C23)C2=CC3=CC(=C2O)OC2=CC=C(C=C2)CC2NC(=O)C(NC(=O)C3NC(=O)C(C3=CC(O)=CC(O)=C3)NC1=O)C1=CC(Cl)=CC(=C1)OC1=CC(=CC=C1O)C(C(=O)O)NC2=O

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InChI: InChI=1S/C70H60ClN9O16/c71-43-22-39-25-48(31-43)96-56-29-38(11-17-55(56)84)61(69(92)93)80-64(87)52-20-36-8-14-47(15-9-36)95-57-30-41-26-50(62(57)85)37-10-16-49-42(33-73-51(49)27-37)28-54(74-63(86)53(21-35-6-12-44(81)13-7-35)76-70(94)72-19-18-34-4-2-1-3-5-34)65(88)77-59(40-23-45(82)32-46(83)24-40)67(90)79-60(41)68(91)78-58(39)66(89)75-52/h1-17,22-27,29-33,52-54,58-61,73,81-85H,18-21,28H2,(H,74,86)(H,75,89)(H,77,88)(H,78,91)(H,79,90)(H,80,87)(H,92,93)(H2,72,76,94)

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InChIKey: RHKOECBWIBZAPY-UHFFFAOYSA-N

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Reference

CAS: 155683-51-5

Properties Information

Molecule Weight: 1318.7500000000002

TPSA: 388.43

MolLogP: 6.963700000000006

Number of H-Donors: 15

Number of H-Acceptors: 15

RingCount: 14

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information