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Substance Name: L-Valine, N-(N-(5-((N-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-seryl)-L-alanyl)-L-alanyl)amino)-4-hydroxy-6-(4-hydroxyphenyl)-1-oxohexyl)-L-valyl)-, methyl ester, (S-(R*,R*))-
RN: 126380-04-9
InChIKey: GLDXWVQSTATDAN-PIQNYBPMSA-N

Molecular Formula

  • C37-H60-N6-O12

Molecular Weight

  • 780.911
 
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Names and Synonyms

Synonym

  • Boc-Ser-Ala-Ala-Tyrpsi(CH(OH)CH2)Gly-Val-Val-OCH3

Systematic Name

  • L-Valine, N-(N-(5-((N-(N-(N-((1,1-dimethylethoxy)carbonyl)-L-seryl)-L-alanyl)-L-alanyl)amino)-4-hydroxy-6-(4-hydroxyphenyl)-1-oxohexyl)-L-valyl)-, methyl ester, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 126380-04-9

System Generated Number

  • 0126380049

Structure Descriptors

InChI

1S/C37H60N6O12/c1-19(2)29(34(51)43-30(20(3)4)35(52)54-10)42-28(47)16-15-27(46)25(17-23-11-13-24(45)14-12-23)40-32(49)22(6)38-31(48)21(5)39-33(50)26(18-44)41-36(53)55-37(7,8)9/h11-14,19-22,25-27,29-30,44-46H,15-18H2,1-10H3,(H,38,48)(H,39,50)(H,40,49)(H,41,53)(H,42,47)(H,43,51)/t21-,22-,25-,26-,27-,29-,30-/m0/s1

InChIKey

GLDXWVQSTATDAN-PIQNYBPMSA-N

Smiles

C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C