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Alidornase alfa
Also known as: Z8w6dn91p8, L-glutaminyl n-(2-aminoethyl)-l-glutamine, Q27276097
Molecular Formula
C12H22N4O6
Molecular Weight
318.33  g/mol
InChI Key
POHUROFYRXELIO-YUMQZZPRSA-N
FDA UNII
Z8W6DN91P8

1 2D Structure

Alidornase alfa

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-amino-5-[2-[[(4S)-4-amino-4-carboxybutanoyl]amino]ethylamino]-5-oxopentanoic acid
2.1.2 InChI
InChI=1S/C12H22N4O6/c13-7(11(19)20)1-3-9(17)15-5-6-16-10(18)4-2-8(14)12(21)22/h7-8H,1-6,13-14H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/t7-,8-/m0/s1
2.1.3 InChI Key
POHUROFYRXELIO-YUMQZZPRSA-N
2.1.4 Canonical SMILES
C(CC(=O)NCCNC(=O)CCC(C(=O)O)N)C(C(=O)O)N
2.1.5 Isomeric SMILES
C(CC(=O)NCCNC(=O)CC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N
2.2 Other Identifiers
2.2.1 UNII
Z8W6DN91P8
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Z8w6dn91p8

2. L-glutaminyl N-(2-aminoethyl)-l-glutamine

3. Q27276097

2.4 Create Date
2016-08-16
3 Chemical and Physical Properties
Molecular Weight 318.33 g/mol
Molecular Formula C12H22N4O6
XLogP3-7.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass318.15393443 g/mol
Monoisotopic Mass318.15393443 g/mol
Topological Polar Surface Area185 Ų
Heavy Atom Count22
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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