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(S)-2-((2S,3S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-methylpentanamido)-4-(methylthio)butanoic acid

Catalog ID
STL007619
SMILES CSCC[C@@H](C(=O)O)NC(=O)[C@H](C(CC)C)NC(=O)[C@@H](n1c(=O)[nH]c2c(c1=O)cccc2)Cc1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C28H34N4O6S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O6S/c1-4-17(2)23(25(34)29-21(27(36)37)14-15-39-3)31-24(33)22(16-18-10-6-5-7-11-18)32-26(35)19-12-8-9-13-20(19)30-28(32)38/h5-13,17,21-23H,4,14-16H2,1-3H3,(H,29,34)(H,30,38)(H,31,33)(H,36,37)/t17?,21-,22-,23-/m0/s1
InChIKey
RAFSARHBQPWJQX-PRKPZBFWSA-N
Synonyms
956937-81-8
(2S)2(((2S)2(((2S)2(24dioxo1Hquinazolin3yl)3phenylpropanoyl)amino)3methylpentanoyl)amino)4methylsulfanylbutanoicacid
(S)2((2S3S)2((R)2(24dioxo12dihydroquinazolin3(4H)yl)3phenylpropanamido)3methylpentanamido)4(methylthio)butanoicacid
CCC(C)C(C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3NC2=O
CSCC(C@@H)(C(=O)O)NC(=O)(C@H)(C(CC)C)NC(=O)(C@@H)(n1c(=O)(nH)c2c(c1=O)cccc2)Cc1ccccc1
CSCC(C@@H)(C(=O)O)NC(=O)(C@H)(C(CC)C)NC(=O)(C@H)(n1c(=O)(nH)c2c(c1=O)cccc2)Cc1ccccc1
InChI=1SC28H34N4O6Sc1417(2)23(25(34)2921(27(36)37)1415393)3124(33)22(1618106571118)3226(35)1912891320(19)3028(32)38h513172123H41416H213H3(H2934)(H3038)(H3133)(H3637)t17?212223m0s1
ZINC000070707474

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Available files

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