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Substance Name: Vancomycin, 29-((4-((1,1'-biphenyl)-4-ylmethyl)-1-piperazinyl)methyl)-44-O-de(2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl)-19-dechloro-56-((1,1-dimethylethoxy)carbonyl)-
RN: 562105-22-0
InChIKey: QKXJCNMZXBJJNY-VXRMPCAASA-N

Molecular Formula

  • C76-H81-Cl-N10-O19

Molecular Weight

  • 1473.9799
 
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Names and Synonyms

  • Vancomycin, 29-((4-((1,1'-biphenyl)-4-ylmethyl)-1-piperazinyl)methyl)-44-O-de(2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl)-19-dechloro-56-((1,1-dimethylethoxy)carbonyl)-

Registry Numbers

CAS Registry Number

  • 562105-22-0

System Generated Number

  • 0562105220

Structure Descriptors

InChI

1S/C76H81ClN10O19/c1-37(2)28-51(85(6)75(103)106-76(3,4)5)69(96)83-63-65(92)43-19-23-54(49(77)30-43)105-56-32-44-31-55(67(56)94)104-45-20-16-41(17-21-45)64(91)62-73(100)82-61(74(101)102)47-33-53(89)48(36-87-26-24-86(25-27-87)35-38-12-14-40(15-13-38)39-10-8-7-9-11-39)66(93)58(47)46-29-42(18-22-52(46)88)59(70(97)84-62)81-71(98)60(44)80-68(95)50(34-57(78)90)79-72(63)99/h7-23,29-33,37,50-51,59-65,88-89,91-94H,24-28,34-36H2,1-6H3,(H2,78,90)(H,79,99)(H,80,95)(H,81,98)(H,82,100)(H,83,96)(H,84,97)(H,101,102)/t50-,51+,59+,60+,61-,62-,63+,64+,65+/m0/s1

InChIKey

QKXJCNMZXBJJNY-VXRMPCAASA-N

Smiles

CC(C)C[C@H](C(=O)N[C@@H]1[C@@H](c2ccc(c(c2)Cl)Oc3cc4cc(c3O)Oc5ccc(cc5)[C@H]([C@H]6C(=O)N[C@@H](c7cc(c(c(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)CN9CCN(CC9)Cc1ccc(cc1)c1ccccc1)O)C(=O)O)O)O)N(C)C(=O)OC(C)(C)C