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Substance Name: (S)-2-((S)-2-((3S,4S)-4-(((S)-2-((S)-2-((S)-2-tert-Butoxycarbonylamino-3-hydroxy-propanoylamino)-propanoylamino)-propanoyl)-methyl-amino)-3-hydroxy-5-phenyl-pentanoylamino)-3-methyl-butanoylamino)-3-methyl-butyric acid methyl ester
RN: 126333-31-1
InChIKey: XASNPUUQPBYCIC-YIJMGOARSA-N

Molecular Formula

  • C37-H60-N6-O11

Molecular Weight

  • 764.912
 
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Names and Synonyms

Synonym

  • Boc-SAA-I-VV-OMe

Systematic Name

  • (S)-2-((S)-2-((3S,4S)-4-(((S)-2-((S)-2-((S)-2-tert-Butoxycarbonylamino-3-hydroxy-propanoylamino)-propanoylamino)-propanoyl)-methyl-amino)-3-hydroxy-5-phenyl-pentanoylamino)-3-methyl-butanoylamino)-3-methyl-butyric acid methyl ester

Registry Numbers

CAS Registry Number

  • 126333-31-1

System Generated Number

  • 0126333311

Structure Descriptors

InChI

1S/C37H60N6O11/c1-20(2)29(33(49)42-30(21(3)4)35(51)53-11)41-28(46)18-27(45)26(17-24-15-13-12-14-16-24)43(10)34(50)23(6)39-31(47)22(5)38-32(48)25(19-44)40-36(52)54-37(7,8)9/h12-16,20-23,25-27,29-30,44-45H,17-19H2,1-11H3,(H,38,48)(H,39,47)(H,40,52)(H,41,46)(H,42,49)/t22-,23-,25-,26-,27-,29-,30-/m0/s1

InChIKey

XASNPUUQPBYCIC-YIJMGOARSA-N

Smiles

C[C@@H](C(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc1ccccc1)[C@H](CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C