Structure

Pressinoic acid

CAS
35748-51-7
Catalog Number
ACM35748517
Category
Other Products
Molecular Weight
774.864180 [g/mol]
Molecular Formula
C33H42N8O10S2

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Specification

Synonyms
Pressinoic acid, 35748-51-7
IUPAC Name
19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxylic acid
Canonical SMILES
C1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)O)CC(=O)N)CCC(=O)N)CC2=CC=CC=C2)CC3=CC=C(C=C3)O)N
InChI Key
ICSANXSPLDFBSA-UHFFFAOYSA-N
Boiling Point
1373ºC at 760mmHg
Flash Point
784.2ºC
Density
1.325g/cm³
Exact Mass
774.24700
H-Bond Acceptor
11
H-Bond Donor
10
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