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Substance Name: Nostopeptin B
RN: 185980-89-6
InChIKey: QMXYZAMGCKYKHQ-PYYLCICISA-N

Classification Code

  • Elastase Inhibitor

Molecular Formula

  • C46-H70-N8-O12

Molecular Weight

  • 927.103
 
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Names and Synonyms

Results Name

  • Nostopeptin B

Synonym

  • Nostopeptin B

Systematic Name

  • L-Isoleucine, N2-acetyl-L-glutaminyl-3-hydroxy-4-methylprolyl-L-leucyl-(alphaS)-3-amino-6-hydroxy-alpha-((1S)-1-methylpropyl)-2-oxo-1-piperidineacetyl-N-methyl-L-tyrosyl-, (6-2)-lactone

Registry Numbers

CAS Registry Number

  • 185980-89-6

System Generated Number

  • 0185980896

Structure Descriptors

InChI

1S/C46H70N8O12/c1-10-24(5)36-46(65)66-39-26(7)22-53(43(62)30(48-27(8)55)16-18-34(47)57)38(39)42(61)50-32(20-23(3)4)40(59)49-31-17-19-35(58)54(44(31)63)37(25(6)11-2)45(64)52(9)33(41(60)51-36)21-28-12-14-29(56)15-13-28/h12-15,23-26,30-33,35-39,56,58H,10-11,16-22H2,1-9H3,(H2,47,57)(H,48,55)(H,49,59)(H,50,61)(H,51,60)/t24-,25-,26-,30-,31-,32-,33-,35+,36-,37-,38-,39-/m0/s1

InChIKey

QMXYZAMGCKYKHQ-PYYLCICISA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]([C@@H](C)CC)N3[C@H](O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]4[C@@H](OC1=O)[C@@H](C)CN4C(=O)[C@H](CCC(=O)N)NC(=O)C)C3=O