What is the molecular formula of SUC-VAL-PRO-PHE-PNA?
The molecular formula of SUC-VAL-PRO-PHE-PNA is C29H35N5O8.
What is the PubChem CID of SUC-VAL-PRO-PHE-PNA?
The PubChem CID of SUC-VAL-PRO-PHE-PNA is 71771434.
What is the molecular weight of SUC-VAL-PRO-PHE-PNA?
The molecular weight of SUC-VAL-PRO-PHE-PNA is 581.6 g/mol.
When was SUC-VAL-PRO-PHE-PNA created in PubChem?
SUC-VAL-PRO-PHE-PNA was created in PubChem on November 13, 2013.
When was SUC-VAL-PRO-PHE-PNA last modified in PubChem?
SUC-VAL-PRO-PHE-PNA was last modified in PubChem on December 30, 2023.
What is the IUPAC name of SUC-VAL-PRO-PHE-PNA?
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.
What is the InChI of SUC-VAL-PRO-PHE-PNA?
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.
What is the InChIKey of SUC-VAL-PRO-PHE-PNA?
The InChIKey of SUC-VAL-PRO-PHE-PNA is QNIRAWWVNQTNGK-FXSPECFOSA-N.
What is the Canonical SMILES of SUC-VAL-PRO-PHE-PNA?
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.
What are the computed properties of SUC-VAL-PRO-PHE-PNA?
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.