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Substance Name: N-Pepstatinyl-S-bimanyl-2-aminoethanethiol
RN: 80562-33-0
InChIKey: BHOCECSLAJLHGP-XFNYOZPQSA-N

Molecular Weight

  • 935.234
 
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Names and Synonyms

Name of Substance

  • N-Pepstatinyl-S-bimanyl-2-aminoethanethiol

Synonym

  • Pepstatin-baet

Systematic Name

  • Pepstatin A, 5-((3S,4S)-3-hydroxy-6-methyl-N-(2-(((2,5,6-trimethyl-1,7-dioxo-1H,7H-pyrazolo(1,2-a)pyrazol-3-yl)methyl)thio)ethyl)-4-aminoheptanamide)-

Registry Numbers

CAS Registry Number

  • 80562-33-0

System Generated Number

  • 0080562330

Structure Descriptors

InChI

1S/C46H78N8O10S/c1-23(2)16-32(50-42(43(47)61)27(9)19-37(57)41(26(7)8)52-39(59)18-25(5)6)36(56)21-40(60)49-30(12)44(62)51-33(17-24(3)4)35(55)20-38(58)48-14-15-65-22-34-29(11)46(64)54-45(63)28(10)31(13)53(34)54/h23-27,30,32-33,35-36,41-42,50,55-56H,14-22H2,1-13H3,(H2,47,61)(H,48,58)(H,49,60)(H,51,62)(H,52,59)/t27?,30?,32?,33?,35?,36?,41-,42-/m0/s1

InChIKey

BHOCECSLAJLHGP-XFNYOZPQSA-N

Smiles

C([C@@H](N[C@@H]([C@@H](CC(N[C@@H](C(N[C@@H]([C@@H](CC(NCCSCc1c(c(n2n1c(c(c2=O)C)C)=O)C)=O)O)CC(C)C)=O)C)=O)O)CC(C)C)[C@@H](C)CC([C@@H](NC(CC(C)C)=O)C(C)C)=O)(=O)N