Vitas-M small molecule compound

N-(phenoxycarbonyl)-D-alanylphenylalanyl-D-leucyl-L-arginine

Catalog ID
STL525164
SMILES CC(C[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)NC(=O)C(NC(=O)[C@H](NC(=O)Oc1ccccc1)C)Cc1ccccc1)C

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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 C31H43N7O7 MW 625.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H43N7O7/c1-19(2)17-24(27(40)36-23(29(42)43)15-10-16-34-30(32)33)38-28(41)25(18-21-11-6-4-7-12-21)37-26(39)20(3)35-31(44)45-22-13-8-5-9-14-22/h4-9,11-14,19-20,23-25H,10,15-18H2,1-3H3,(H,35,44)(H,36,40)(H,37,39)(H,38,41)(H,42,43)(H4,32,33,34)/t2
InChIKey
ALFHONPOIOCTBA-DBEOCMILSA-N
Synonyms

(2~(S))5(diaminomethylideneamino)2(((2~(R))4methyl2((2(((2~(R))2(phenoxycarbonylamino)propanoyl)amino)3phenylpropanoyl)amino)pentanoyl)amino)pentanoicacid
(3R9R12S)6benzyl12(3guanidinopropyl)9isobutyl3methyl14710tetraoxo1phenoxy25811tetraazatridecan13oicacid
16395691
CC(C(C@H)(C(=O)N(C@H)(C(=O)O)CCCNC(=N)N)NC(=O)C(NC(=O)(C@H)(NC(=O)Oc1ccccc1)C)Cc1ccccc1)C
InChI=1SC31H43N7O7c119(2)1724(27(40)3623(29(42)43)1510163430(32)33)3828(41)25(1821116471221)3726(39)20(3)3531(44)4522138591422h49111419202325H101518H213H3(H3544)(H3640)(H3739)(H3841)(H4243)(H4323334)t2023+2425?m1s1
MFCD01083277
N(phenoxycarbonyl)DalanylphenylalanylDleucylLarginine
ZINC000070665376
ZINC000070665378

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.