COMPOUND: C06488
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Entry
C06488 Compound
Name
XV638;
[4R-(4alpha,5alpha,6beta,7beta)]-3,3'-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-2-thiazolylbenzamide]
Formula
C41H38N6O5S2
Exact mass
758.2345
Mol weight
758.9076
Structure
Mol file
KCF file
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Other DBs
PubChem:
8719
ChEBI:
10050
NIKKAJI:
J955.109C
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KCF data
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ATOM 54
1 N1y N 26.8817 -18.1263
2 C1y C 26.5607 -19.4896
3 C5x C 28.1465 -17.5432
4 C1b C 25.7938 -17.2416
5 C1y C 27.4191 -20.5972
6 C1b C 25.1909 -19.7976
7 N1y N 29.4048 -18.1592
8 O5x O 28.1662 -16.1406
9 C8y C 24.4871 -17.7417
10 C1y C 28.8215 -20.6101
11 O1a O 26.8032 -21.8553
12 C8y C 24.7648 -21.1280
13 C1y C 29.7062 -19.5289
14 C1b C 30.5124 -17.3007
15 C8x C 23.3062 -16.9964
16 C8x C 24.5210 -19.1408
17 O1a O 29.4179 -21.8816
18 C8x C 23.3951 -21.4228
19 C8x C 25.7020 -22.1568
20 C1b C 31.0695 -19.8566
21 C8y C 31.8136 -17.8223
22 C8y C 22.0717 -17.6659
23 C8x C 23.2145 -19.7972
24 C8x C 22.9627 -22.7598
25 C8x C 25.2761 -23.4938
26 C8y C 31.4692 -21.2000
27 C8x C 33.0052 -17.0967
28 C8x C 31.7640 -19.2180
29 C5a C 20.8779 -16.9223
30 C8x C 22.0225 -19.0666
31 C8x C 23.9064 -23.7888
32 C8x C 30.5124 -22.2092
33 C8x C 32.8324 -21.5212
34 C8y C 34.2303 -17.7684
35 C8x C 33.0655 -19.8904
36 N1b N 19.6423 -17.5853
37 O5a O 20.8571 -15.5214
38 C8x C 30.9121 -23.5527
39 C8x C 33.2388 -22.8647
40 C5a C 35.4347 -17.0444
41 C8x C 34.2563 -19.1715
42 C8y C 18.4560 -16.8472
43 C8x C 32.2754 -23.8804
44 N1b N 36.6590 -17.7227
45 O5a O 35.4086 -15.6415
46 N5x N 18.3539 -15.4530
47 S2x S 17.1636 -17.3788
48 C8y C 37.8634 -16.9986
49 C8x C 16.9955 -15.1206
50 C8x C 16.2576 -16.3070
51 N5x N 37.9803 -15.6133
52 S2x S 39.1565 -17.5467
53 C8x C 39.3470 -15.2921
54 C8x C 40.0660 -16.4829
BOND 60
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1
13 7 14 1
14 9 15 2
15 9 16 1
16 10 17 1 #Down
17 12 18 2
18 12 19 1
19 13 20 1 #Down
20 14 21 1
21 15 22 1
22 16 23 2
23 18 24 1
24 19 25 2
25 20 26 1
26 21 27 1
27 21 28 2
28 22 29 1
29 22 30 2
30 24 31 2
31 26 32 2
32 26 33 1
33 27 34 2
34 28 35 1
35 29 36 1
36 29 37 2
37 32 38 1
38 33 39 2
39 34 40 1
40 34 41 1
41 36 42 1
42 38 43 2
43 40 44 1
44 40 45 2
45 42 46 1
46 42 47 2
47 44 48 1
48 46 49 2
49 47 50 2
50 48 51 1
51 48 52 2
52 51 53 2
53 52 54 2
54 10 13 1
55 23 30 1
56 25 31 1
57 35 41 2
58 39 43 1
59 49 50 1
60 53 54 1
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