23615402 -OEChem-03282414442D 30 29 0 1 0 0 0 0 0999 V2000 3.4030 -1.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -0.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.7373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 28 1 0 0 0 0 2 13 2 0 0 0 0 3 15 1 0 0 0 0 3 29 1 0 0 0 0 4 16 1 0 0 0 0 4 30 1 0 0 0 0 5 15 2 0 0 0 0 6 16 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 0 0 0 0 11 8 1 6 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 M END > 23615402 > 1 > 284 > 7 > 5 > 7 > AAADccBzOABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQCAAACCjFwASACALAAgQIAAGQGAAAAAAAAAAAAIGIAAACABIAgCAEQAAEFgCQAACcFwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-amino-5-[(1-carboxy-2-sulfanyl-ethyl)amino]-5-oxo-pentanoic acid > (2S)-2-amino-5-[(1-carboxy-2-mercaptoethyl)amino]-5-oxopentanoic acid > (2S)-2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid > (2S)-2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid > (2S)-2-azanyl-5-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentanoic acid > (2S)-2-amino-5-[(1-carboxy-2-mercapto-ethyl)amino]-5-keto-valeric acid > InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5?/m0/s1 > RITKHVBHSGLULN-ROLXFIACSA-N > -3.8 > 250.06234272 > C8H14N2O5S > 250.27 > C(CC(=O)NC(CS)C(=O)O)C(C(=O)O)N > C(CC(=O)NC(CS)C(=O)O)[C@@H](C(=O)O)N > 131 > 250.06234272 > 0 > 16 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 3 11 8 6 $$$$