devancosaminyl-vancomycin
Chemical Formula:
C59H62N8O22CL2
Molecular Weight:
1306.085 Daltons
Monoisotopic Mass:
1305.3433961701 Daltons
SMILES:
CC(C)CC(C(NC9(C(NC(CC(N)=O)C(NC5(C(NC3(C(NC(C(NC(C(=O)[O-])C1(=CC(=CC(=C1C2(C(=CC=C(C=2)3)O))O)O))=O)C(C4(=CC(Cl)=C(C=C4)OC6(C=C5C=C(C=6OC7(C(C(C(C(CO)O7)O)O)O))OC8(=C(Cl)C=C(C=C8)C9O))))O)=O))=O))=O)=O))=O)[N+]C
InChI:
1S/C59H62Cl2N8O22/c1-20(2)10-30(63-3)52(80)68-44-46(75)22-5-8-34(28(60)12-22)88-36-14-24-15-37(51(36)91-59-50(79)49(78)48(77)38(19-70)90-59)89-35-9-6-23(13-29(35)61)47(76)45-57(85)67-43(58(86)87)27-16-25(71)17-33(73)40(27)26-11-21(4-7-32(26)72)41(54(82)69-45)66-55(83)42(24)65-53(81)31(18-39(62)74)64-56(44)84/h4-9,11-17,20,30-31,38,41-50,59,63,70-73,75-79H,10,18-19H2,1-3H3,(H2,62,74)(H,64,84)(H,65,81)(H,66,83)(H,67,85)(H,68,80)(H,69,82)(H,86,87)/t30-,31+,38-,41-,42?,43?,44?,45?,46-,47-,48-,49+,50-,59+/m1/s1
InChIKey:
Synonyms
- vancomycin pseudoaglycone
Databases
MetaCyc:
CPD-15744
PubChem (CID):
90657996
MetaboLights:
MTBLC47395
DRUGBANK:
DB04529
ChEBI:
47395
MetaNetX:
MNXM163794