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Substance Name: Maraciclatide [USAN:INN]
RN: 489427-17-0
UNII: N9A1HIM7BA
InChIKey: OTOMOKKNHNZSBB-CQSZQERZSA-N

Classification Code

  • Diagnostic Radio-Pharmaceutical

Molecular Weight

  • 1698.057
 
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Names and Synonyms

Name of Substance

  • Maraciclatide [USAN:INN]

Synonyms

  • 6-N-(5-((5-((2-(Hydroxyimino)-1,1-dimethylpropyl)amino)-3-(2-((2-(hydroxyimino)-1,1-dimethylpropyl)amino)ethyl)pentyl)amino)-5-oxopentanoyl)-2-N-(2-sulfanylacetyl)-L-lysyl-L-cysteinyl-L-arginylglycyl-L-alpha-aspartyl-L-cysteinyl-L-phenylalanyl-1-N-(17-amino-13,17-dioxo-3,6,9,15-tetraoxa-12-azaheptadecyl)-L-cysteinamide cyclic (2->6)-disulfide cyclic (1->8)-thioether
  • L-Cysteinamide, N(sup 6)-(5-((5-((2-(hydroxyimino)-1,1-dimethylpropyl)amino)-3-(2-((2-(hydroxyimino)-1,1-dimethylpropyl)amino)ethyl)pentyl)amino)-1,5-dioxopentyl)-N(sup 2)-(2-mercaptoacetyl)-L-lysyl-L-cysteinyl-L-arginylglycyl-L-alpha-aspartyl-L-cysteinyl-L-phenylalanyl-N-(17-amino-13,17-dioxo-3,6,9,15-tetraoxa-12-azaheptadec-1-yl)-, cyclic (1->8)-thioether, cyclic (2->6)-disulfide
  • Maraciclatide
  • NC 100692
  • UNII-N9A1HIM7BA

Registry Numbers

CAS Registry Number

  • 489427-17-0

FDA UNII

  • N9A1HIM7BA

System Generated Number

  • 0489427170

Structure Descriptors

InChI

1S/C72H120N20O21S3/c1-45(91-108)71(3,4)82-26-21-47(22-27-83-72(5,6)46(2)92-109)20-25-77-58(95)19-12-18-57(94)76-23-11-10-16-50-65(103)89-54-42-115-116-43-55(90-67(105)52(37-62(99)100)85-59(96)38-81-63(101)49(86-68(54)106)17-13-24-80-70(74)75)69(107)87-51(36-48-14-8-7-9-15-48)66(104)88-53(41-114-44-61(98)84-50)64(102)79-29-31-111-33-35-112-34-32-110-30-28-78-60(97)40-113-39-56(73)93/h7-9,14-15,47,49-55,82-83,108-109H,10-13,16-44H2,1-6H3,(H2,73,93)(H,76,94)(H,77,95)(H,78,97)(H,79,102)(H,81,101)(H,84,98)(H,85,96)(H,86,106)(H,87,107)(H,88,104)(H,89,103)(H,90,105)(H,99,100)(H4,74,75,80)/t47?,49-,50-,51-,52-,53-,54-,55-/m0/s1

InChIKey

OTOMOKKNHNZSBB-CQSZQERZSA-N

Smiles

CC(=NO)C(C)(C)NCCC(CCNC(=O)CCCC(=O)NCCCC[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N1)C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)N)Cc3ccccc3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCNC(=N)N)CC(=O)O)CCNC(C)(C)C(=NO)C