COMPOUND: C17309
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Entry
C17309 Compound
Name
Cilazaprilat;
(1S,9S)-9-((S)-1-Carboxy-3-phenylpropylamino)-10-oxo-4,6,7,8,9,10-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
Formula
C20H27N3O5
Exact mass
389.1951
Mol weight
389.4455
Structure
Mol file
KCF file
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C17309
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Other DBs
CAS:
90139-06-3
PubChem:
96023685
ChEBI:
81005
NIKKAJI:
J396.360H
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KCF data
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ATOM 28
1 C1y C 25.7628 -21.5623
2 C5x C 24.5027 -20.8622
3 N1y N 23.2426 -21.5623
4 N1y N 23.2426 -23.0325
5 C1y C 21.9823 -20.8622
6 C1x C 20.7222 -21.5623
7 C1x C 20.7222 -23.0325
8 C1x C 21.9823 -23.7326
9 C6a C 21.9823 -19.3921
10 O5x O 24.5027 -19.3921
11 O6a O 20.7222 -18.6920
12 O6a O 23.1726 -18.6920
13 N1b N 26.9530 -20.7922
14 C1c C 28.2131 -21.4923
15 C1b C 29.4732 -20.7922
16 C1b C 30.7334 -21.4923
17 C8y C 31.9935 -20.7222
18 C6a C 28.2131 -22.9625
19 O6a O 26.9530 -23.6626
20 O6a O 29.4732 -23.6626
21 C8x C 33.1836 -21.4223
22 C8x C 34.4438 -20.7222
23 C8x C 34.4438 -19.2520
24 C8x C 33.1836 -18.5520
25 C8x C 31.9935 -19.3221
26 C1x C 25.7628 -22.8925
27 C1x C 25.1328 -23.7326
28 C1x C 24.0827 -23.7326
BOND 30
1 1 2 1
2 2 3 1
3 3 4 1
4 3 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 4 8 1
9 5 9 1 #Up
10 2 10 2
11 9 11 1
12 9 12 2
13 1 13 1 #Up
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 14 18 1 #Up
19 18 19 2
20 18 20 1
21 17 21 2
22 21 22 1
23 22 23 2
24 23 24 1
25 24 25 2
26 17 25 1
27 1 26 1
28 26 27 1
29 27 28 1
30 28 4 1
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