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Substance Name: LY 178480
RN: 121869-35-0
InChIKey: ORZVJBWXRAJYHN-RWDRXURGSA-N

Molecular Formula

  • C72-H99-N17-O25

Molecular Weight

  • 1602.6681
 
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Names and Synonyms

Results Name

  • LY 178480

Synonyms

  • CB 130952
  • LY178480

Systematic Name

  • Daptomycin, 9-(2,5-dioxo-L-3-amino-1-pyrrolidineacetic acid)-10-deglycine-

Registry Numbers

CAS Registry Number

  • 121869-35-0

Other Registry Number

  • 351499-34-8

System Generated Number

  • 0121869350

Structure Descriptors

InChI

1S/C72H99N17O25/c1-5-6-7-8-9-10-11-22-53(93)80-44(25-38-31-76-42-20-15-13-17-39(38)42)65(106)82-45(27-52(75)92)66(107)84-47(30-59(101)102)67(108)88-61-37(4)114-72(113)49(26-51(91)40-18-12-14-19-41(40)74)86-70(111)60(35(2)24-57(97)98)87-68(109)50(34-90)81-55(95)33-89-56(96)28-48(71(89)112)85-62(103)36(3)78-64(105)46(29-58(99)100)83-63(104)43(21-16-23-73)79-54(94)32-77-69(61)110/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,110)(H,78,105)(H,79,94)(H,80,93)(H,81,95)(H,82,106)(H,83,104)(H,84,107)(H,85,103)(H,86,111)(H,87,109)(H,88,108)(H,97,98)(H,99,100)(H,101,102)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1

InChIKey

ORZVJBWXRAJYHN-RWDRXURGSA-N

Smiles

CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@@H](C)OC(=O)[C@H](CC(=O)c4ccccc4N)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CN5C(=O)C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)CNC3=O)C5=O)[C@H](C)CC(=O)O