(4S)-4-[[(2S)-2-[[(2R)-2-(2-azanylethanoylamino)-3-sulfanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2R)-2-(2-azanylethanoylamino)-3-sulfanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-[[(2S)-3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanyl-propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-[[(1S)-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2R)-2-[(2-amino-1-oxoethyl)amino]-3-mercapto-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2R)-2-[(2-aminoacetyl)amino]-3-sulfanylpropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2R)-2-(glycylamino)-3-mercapto-propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-[[(1S)-2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C21H31N7O10S MolecularWeight: 573.57674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CS)NC(=O)CN

Isomeric SMILES

C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)CN

InChI

InChI=1S/C21H31N7O10S/c22-6-15(29)25-14(8-39)20(36)27-11(1-3-16(30)31)18(34)26-12(2-4-17(32)33)19(35)28-13(21(37)38)5-10-7-23-9-24-10/h7,9,11-14,39H,1-6,8,22H2,(H,23,24)(H,25,29)(H,26,34)(H,27,36)(H,28,35)(H,30,31)(H,32,33)(H,37,38)/t11-,12-,13-,14-/m0/s1