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Substance Name: Capreomycin IIB
RN: 754135-24-5
UNII: K630580G1N
InChIKey: MHBQQDNEPQYCOS-CBQPQWBASA-N

Molecular Formula

  • C19-H32-N12-O6

Molecular Weight

  • 524.5398
 
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Names and Synonyms

Name of Substance

  • Capreomycin IIB

Synonyms

  • 1-((Z)-((3S,9S,12S,15S)-15-Amino-9-(aminomethyl)-3-((4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl)-12-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-6-ylidene)methyl)urea
  • Capreomycin IIB
  • Cyclo((2S)-2-amino-beta-alanyl-L-alanyl-3-amino-L-alanyl-(2Z)-3-((aminocarbonyl)amino)-2,3-didehydroalanyl-(2S)-2-((4R)-2-amino-3,4,5,6-tetrahydro-4-pyrimidinyl)glycyl)
  • UNII-K630580G1N

Registry Numbers

CAS Registry Number

  • 754135-24-5

FDA UNII

  • K630580G1N

System Generated Number

  • 0754135245

Structure Descriptors

InChI

1S/C19H32N12O6/c1-7-13(32)28-10(4-20)15(34)29-11(6-26-19(23)37)16(35)31-12(9-2-3-24-18(22)30-9)17(36)25-5-8(21)14(33)27-7/h6-10,12H,2-5,20-21H2,1H3,(H,25,36)(H,27,33)(H,28,32)(H,29,34)(H,31,35)(H3,22,24,30)(H3,23,26,37)/b11-6-/t7-,8-,9+,10-,12-/m0/s1

InChIKey

MHBQQDNEPQYCOS-CBQPQWBASA-N

Smiles

C[C@H]1C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N[C@H](C(=O)NC[C@@H](C(=O)N1)N)[C@H]2CCN=C(N2)N)CN