Mol:BMAXTP--0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 20 0 0 1 0 0 0 0 0999 V2000
4.1255 -2.3260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8164 -3.2771 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.6255 -3.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4345 -3.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1255 -2.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8654 -3.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5377 -1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9444 -0.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3566 0.2056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 1.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 1.9281 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5823 2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 3.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 1.8236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6575 -4.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1222 -2.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5431 -1.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7579 1.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
20 10 2 0 0 0 0
10 11 1 0 0 0 0
11 16 1 4 0 0 0
13 14 1 0 0 0 0
15 13 1 0 0 0 0
10 9 1 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
7 19 2 0 0 0 0
7 1 1 0 0 0 0
2 1 1 0 0 0 0
1 5 1 0 0 0 0
2 3 1 4 0 0 0
5 4 1 0 0 0 0
3 4 1 0 0 0 0
6 18 2 0 0 0 0
2 6 1 0 0 0 0
6 17 1 0 0 0 0
S SKP 7
ID BMAXTP--0004
NAME (2S) -1- [2- [ [(2S) -2-Amino-4-methylpentanoyl] amino] acetyl] pyrrolidine-2-carboxylic acid
10183-38-7
FORMULA C13H23N3O4
EXACTMASS 285.1688
AVERAGEMASS 285.3395
SMILES CC(C)CC(N)C(=O)NCC(=O)N(C1)C(CC1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01833
M END
