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Substance Name: Ristomycin A aglycone, 38-(((6-aminohexyl)amino)carbonyl)-22, 31-dichloro-41-(((3-(decyldimethylammonio)propyl)amino)methyl)-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-
RN: 562105-30-0
InChIKey: ZSNDSTMDALTXOH-WWKUFPQRSA-O

Molecular Formula

  • C80-H94-Cl2-N11-O17

Molecular Weight

  • 1552.5886
 
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Names and Synonyms

Synonym

  • Teicoplanin aglycon, 38-N-aminohexyl carbamyl-, 41-decyl-dimethylammonium-(3-methylamino-propyl)-

Systematic Name

  • Ristomycin A aglycone, 38-(((6-aminohexyl)amino)carbonyl)-22, 31-dichloro-41-(((3-(decyldimethylammonio)propyl)amino)methyl)-38-de(methoxycarbonyl)-7-demethyl-19-deoxy-

Registry Numbers

CAS Registry Number

  • 562105-30-0

System Generated Number

  • 0562105300

Structure Descriptors

InChI

1S/C80H93Cl2N11O17/c1-4-5-6-7-8-9-12-15-28-93(2,3)29-16-26-85-41-52-58(97)40-51-64(72(52)99)50-34-44(19-21-56(50)95)66-77(104)92-70(80(107)91-69(51)76(103)86-27-14-11-10-13-25-83)71(98)45-20-24-60(54(82)35-45)110-63-38-47-37-62(73(63)100)109-59-23-17-42(30-53(59)81)31-55-74(101)88-67(78(105)90-68(47)79(106)89-66)46-32-48(94)39-49(33-46)108-61-36-43(18-22-57(61)96)65(84)75(102)87-55/h17-24,30,32-40,55,65-71,85,98H,4-16,25-29,31,41,83-84H2,1-3H3,(H12-,86,87,88,89,90,91,92,94,95,96,97,99,100,101,102,103,104,105,106,107)/p+1/t55-,65-,66-,67+,68-,69+,70+,71-/m1/s1

InChIKey

ZSNDSTMDALTXOH-WWKUFPQRSA-O

Smiles

CCCCCCCCCC[N+](C)(C)CCCNCc1c(cc2c(c1O)-c3cc(ccc3O)[C@@H]4C(=O)N[C@@H]([C@@H](c5ccc(c(c5)Cl)Oc6cc7cc(c6O)Oc8ccc(cc8Cl)C[C@@H]9C(=O)N[C@@H](c1cc(cc(c1)Oc1cc(ccc1O)[C@H](C(=O)N9)N)O)C(=O)N[C@H]7C(=O)N4)O)C(=O)N[C@@H]2C(=O)NCCCCCCN)O