VANCOMYCIN HYDROCHLORIDE

PubChem Notes:

Vancomycin Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.

Molecular Formula: C67H77Cl3N8O24


InChI: InChI=1/C67H76Cl2N8O24.ClH/c1-24(2)12-36(72-5)61(90)77-52-54(85)28-8-11-42(35(69)15-28)98-44-17-29-16-43(57(44)101-66-58(56(87)55(86)45(23-78)99-66)100-47-22-67(4,71)59(88)25(3)96-47)97-41-10-7-27(14-34(41)68)53(84)33-20-40(82)49(74-63(92)50(29)75-62(91)37(21-46(70)83)73-64(52)93)26-6-9-38(80)31(13-26)48-32(18-30(79)19-39(48)81)51(65(94)95)76-60(33)89;/h6-11,13-19,24-25,33,36-37,45,47,49-56,58-59,66,72,78-81,84-88H,12,20-23,71H2,1-5H3,(H2,70,83)(H,73,93)(H,74,92)(H,75,91)(H,76,89)(H,77,90)(H,94,95);1H/t25-,33-,36+,37-,45u,47-,49?,50+,51+,52?,53+,54+,55+,56-,58+,59+,66-,67-;/m0./s1/f/h73-77,94H,70H2;

InChIKey: InChIKey=MBCRHLPCAZJOHA-IESLUQQWDP
SMILES: CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C(=O)CC(C(C8=CC(=C(O4)C=C8)Cl)O)C(=O)NC(C9=CC(=CC(=C9C1=C(C=CC7=C1)O)O)O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O.Cl

Names:
    VANCOMYCIN HYDROCHLORIDE

Registries:
    PubChem CID 5702130
    PubChem ID 8149582