zinc 2-azanyl-5-[[1-(carboxymethylamino)-3-[[3-(carboxymethylamino)-2-[[4-[[[(3R,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanylidene-propyl]disulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: zinc 2-azanyl-5-[[1-(carboxymethylamino)-3-[[3-(carboxymethylamino)-2-[[4-[[[(3R,5S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanylidene-propyl]disulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: zinc 2-amino-5-[[2-(carboxymethylamino)-1-[[[3-(carboxymethylamino)-2-[[5-hydroxy-4-[[hydroxy-[[(3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]amino]-5-oxo-pentanoyl]amino]-3-oxo-propyl]disulfanyl]methyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: zinc 2-amino-5-[[1-(carboxymethylamino)-3-[[3-(carboxymethylamino)-2-[[5-hydroxy-4-[[hydroxy-[[(3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl]amino]-1,5-dioxopentyl]amino]-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: zinc 2-amino-5-[[1-(carboxymethylamino)-3-[[3-(carboxymethylamino)-2-[[5-hydroxy-4-[[hydroxy-[[(3R,5S)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]-5-oxopentanoyl]amino]-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: zinc 2-amino-5-[[2-(carboxymethylamino)-1-[[[3-(carboxymethylamino)-2-[[4-[[[(3R,5S)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-keto-propyl]disulfanyl]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C30H45N8O19PS2Zn+2 MolecularWeight: 982.233261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NC(CCC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(=O)O)O)O.[Zn+2]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H](C(O2)COP(=O)(NC(CCC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(=O)O)O)O.[Zn+2]

InChI

InChI=1S/C30H45N8O19PS2.Zn/c1-13-9-38(30(53)36-25(13)46)22-6-18(39)19(57-22)10-56-58(54,55)37-15(29(51)52)3-5-21(41)35-17(27(48)33-8-24(44)45)12-60-59-11-16(26(47)32-7-23(42)43)34-20(40)4-2-14(31)28(49)50;/h9,14-19,22,39H,2-8,10-12,31H2,1H3,(H,32,47)(H,33,48)(H,34,40)(H,35,41)(H,42,43)(H,44,45)(H,49,50)(H,51,52)(H,36,46,53)(H2,37,54,55);/q;+2/t14?,15?,16?,17?,18-,19?,22+;/m1./s1