951885-43-1 Purity
98%
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Specification
The molecular formula of SUC-VAL-PRO-PHE-PNA is C29H35N5O8.
The PubChem CID of SUC-VAL-PRO-PHE-PNA is 71771434.
The molecular weight of SUC-VAL-PRO-PHE-PNA is 581.6 g/mol.
SUC-VAL-PRO-PHE-PNA was created in PubChem on November 13, 2013.
SUC-VAL-PRO-PHE-PNA was last modified in PubChem on December 30, 2023.
The IUPAC name of SUC-VAL-PRO-PHE-PNA is 4-[[(2S)-3-methyl-1-[(2S)-2-[[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid.
The InChI of SUC-VAL-PRO-PHE-PNA is InChI=1S/C29H35N5O8/c1-18(2)26(32-24(35)14-15-25(36)37)29(40)33-16-6-9-23(33)28(39)31-22(17-19-7-4-3-5-8-19)27(38)30-20-10-12-21(13-11-20)34(41)42/h3-5,7-8,10-13,18,22-23,26H,6,9,14-17H2,1-2H3,(H,30,38)(H,31,39)(H,32,35)(H,36,37)/t22-,23-,26-/m0/s1.
The InChIKey of SUC-VAL-PRO-PHE-PNA is QNIRAWWVNQTNGK-FXSPECFOSA-N.
The Canonical SMILES of SUC-VAL-PRO-PHE-PNA is CC(C)C(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)CCC(=O)O.
The computed properties of SUC-VAL-PRO-PHE-PNA include molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and compound is canonicalized.
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