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100157-28-6 | L-Serinamide, N2-acetyl-N5-formyl-N5-hydroxy-L-ornithyl-N-[3-[(2S,5S)-5-[3-(formylhydroxyamino)propyl]-3,6-dioxo-2-piperazinyl]propyl]-N-hydroxy-
CAS No: 100157-28-6 Catalog No: AG000145 MDL No:
Product Description
Catalog Number:
AG000145
Chemical Name:
L-Serinamide, N2-acetyl-N5-formyl-N5-hydroxy-L-ornithyl-N-[3-[(2S,5S)-5-[3-(formylhydroxyamino)propyl]-3,6-dioxo-2-piperazinyl]propyl]-N-hydroxy-
CAS Number:
100157-28-6
Molecular Formula:
C22H37N7O11
Molecular Weight:
575.5695
IUPAC Name:
2-acetamido-5-[formyl(hydroxy)amino]-N-[1-[3-[5-[3-[formyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl-hydroxyamino]-3-hydroxy-1-oxopropan-2-yl]pentanamide
InChI:
InChI=1S/C22H37N7O11/c1-14(33)23-15(5-2-8-27(38)12-31)19(34)26-18(11-30)22(37)29(40)10-4-7-17-21(36)24-16(20(35)25-17)6-3-9-28(39)13-32/h12-13,15-18,30,38-40H,2-11H2,1H3,(H,23,33)(H,24,36)(H,25,35)(H,26,34)
InChI Key:
IQMHGRIOYXVPSE-UHFFFAOYSA-N
SMILES:
O=CN(CCC[C@@H](C(=O)N[C@H](C(=O)N(CCC[C@@H]1NC(=O)[C@@H](NC1=O)CCCN(C=O)O)O)CO)NC(=O)C)O
NSC Number:
612475
Properties
Complexity:
906
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
575.255g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
575.576g/mol
Monoisotopic Mass:
575.255g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
258A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-4
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