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Substance Name: Bibapcitide [USAN:INN:BAN]
RN: 153507-46-1
UNII: 54M83JF5OX
InChIKey: ITIVDKVIKVJWAH-NDDSAYQWSA-I

Classification Code

  • Radionuclide Carrier

Molecular Formula

  • C112-H162-N36-O43-S10

Molecular Weight

  • 1387.5598
 
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Names and Synonyms

Name of Substance

  • Bibapcitide [USAN:INN:BAN]

Synonyms

  • 13,13'-(Oxybis(methylene(2,5-dioxo-1,3-pyrrolidinediyl)))bis(N-(mercaptoacetyl)-D-tyrosyl-S-(3-aminopropyl)-L-cysteinylglycyl-L-alpha-aspartyl-L-cysteinylglycyl glycyl-S-(acetamidomethyl)-L-cysteinylglycyl-S-(acetamidomethyl)-L-cysteinyl glycylglycyl-L-cysteinamide, cyclic (1-5), (1-5')-bis(sulfide)
  • Bibapcitide
  • P 280
  • P280
  • UNII-54M83JF5OX

Registry Numbers

CAS Registry Number

  • 153507-46-1

FDA UNII

  • 54M83JF5OX

System Generated Number

  • 0153507461

Structure Descriptors

InChI

1S/C51H77N17O19S5/c1-26(69)60-24-91-21-33(46(82)56-12-37(72)54-14-39(74)64-32(18-88)45(53)81)66-42(77)17-58-47(83)34(22-92-25-61-27(2)70)65-40(75)15-55-38(73)13-57-49(85)36-20-90-23-43(78)63-30(10-28-4-6-29(71)7-5-28)50(86)67-35(19-89-9-3-8-52)48(84)59-16-41(76)62-31(11-44(79)80)51(87)68-36/h4-7,30-36H,3,8-25,52H2,1-2H3,(H20,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88)/p-5/t30-,31+,32+,33+,34+,35+,36+/m1/s1

InChIKey

ITIVDKVIKVJWAH-NDDSAYQWSA-I

Smiles

CC(=O)NCSC[C@@H](C(=O)NCC(=O)N[C@@H](CSCNC(=O)C)C(=O)[N-]CC(=O)[N-]CC(=O)[N-][C@@H](C[S-])C(=O)N)NC(=O)CNC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)CC(=O)[O-])CSCCCN)Cc2ccc(cc2)O