CAS 140909-80-4 | Cyclo(3-hydroxydecanoyl-D-leucyl-L-seryl-L-threonyl-D-phenylalanyl-L-isoleucyl) | CAS Number 140909-80-4

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140909-80-4 | Cyclo(3-hydroxydecanoyl-D-leucyl-L-seryl-L-threonyl-D-phenylalanyl-L-isoleucyl)

CAS No: 140909-80-4 Catalog No: AG001D03 MDL No:

Product Description

Catalog Number:

AG001D03

Chemical Name:

Cyclo(3-hydroxydecanoyl-D-leucyl-L-seryl-L-threonyl-D-phenylalanyl-L-isoleucyl)

CAS Number:

140909-80-4

Molecular Formula:

C38H61N5O9

Molecular Weight:

731.9190

IUPAC Name:

(3S,6R,12S,15R)-6-benzyl-3-[(2S)-butan-2-yl]-19-heptyl-9-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-15-(2-methylpropyl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone

InChI:

InChI=1S/C38H61N5O9/c1-7-9-10-11-15-18-27-21-31(46)39-28(19-23(3)4)34(47)41-30(22-44)36(49)43-33(25(6)45)37(50)40-29(20-26-16-13-12-14-17-26)35(48)42-32(24(5)8-2)38(51)52-27/h12-14,16-17,23-25,27-30,32-33,44-45H,7-11,15,18-22H2,1-6H3,(H,39,46)(H,40,50)(H,41,47)(H,42,48)(H,43,49)/t24-,25+,27?,28+,29+,30-,32-,33?/m0/s1

InChI Key:

JJJUZZODDZXKCZ-XVPNFOEFSA-N

SMILES:

CCCCCCCC(CC(=O)N1C(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1CC(C)C)CO)[C@H](O)C)[C@H](CC)C)O