(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[bis(prop-2-en-1-yl)amino]-3-(4-hydroxyphenyl)propanamido]-2-methylpropanamido}-2-methylpropanamido)-3-phenylpropanamido]-4-methylpentanoic acid

Compound number:
MolPort-023-275-937
CAS number: 89352-67-0
IUPAC:
(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[bis(prop-2-en-1-yl)amino]-3-(4-hydroxyphenyl)propanamido]-2-methylpropanamido}-2-methylpropanamido)-3-phenylpropanamido]-4-methylpentanoic acid
IUPAC traditional:
(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[bis(prop-2-en-1-yl)amino]-3-(4-hydroxyphenyl)propanamido]-2-methylpropanamido}-2-methylpropanamido)-3-phenylpropanamido]-4-methylpentanoic acid
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O
InChI key:
XUWLAGNFLUARAN-CHQNGUEUSA-N
Molecular formula:
C38H53N5O7
Molecular weight: 691.87
Solubility: not available
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: N/A
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1 mg November 22, 2019 136.88 USD
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5 mg November 22, 2019 462.56 USD
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More Information

Compound Identifiers
Compound number: MolPort-023-275-937
CAS number: 89352-67-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003935022
ICI 174,864

InChI
InChI: 1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
InChI key: XUWLAGNFLUARAN-CHQNGUEUSA-N

Calculated Properties
Molecular formula: C38H53N5O7
Molecular weight: 691.87

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2019 MolPort, v3.26, release date 12-11-2019 13:00 (+0200). All rights reserved.
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