carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane

C106H130BrCl2N21O34S8 — CID 163826774

About carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane

carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane (PubChem CID 163826774) has the molecular formula C106H130BrCl2N21O34S8 and a molecular weight of 2649.66 g/mol. Its IUPAC name is carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane.

Molecular Properties

• Compound Name: carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane
• PubChem CID: 163826774
• Molecular Formula: C106H130BrCl2N21O34S8
• Molecular Weight: 2649.66 g/mol
• Exact Mass: 2645.54
• IUPAC Name: carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane
• SMILES: CCn1nc(C)cc1C(=O)O.COC(=O)c1cc(N)c2c(c1)OC[C@H](C/C=C\C[C@H]1COc3cc(C(=O)OC)cc(N)c3N1)N2.COC(=O)c1cc(OC[C@@H](N)C/C=C\C[C@H](N)COc2cc(C(=O)OC)cc([N+](=O)[O-])c2Cl)c(Cl)c([N+](=O)[O-])c1.COC(=O)c1cc2c(c([N+](=O)[O-])c1)N[C@@H](C/C=C\C[C@H]1COc3cc(C(=O)OC)cc([N+](=O)[O-])c3N1)CO2.COC(=O)c1cc2c3c(c1)nc(N)n3[C@@H](C/C=C\C[C@H]1COc3cc(C(=O)OC)cc4nc(N)n1c34)CO2.N#CBr.S.S.S.S.S.S.S.S
• InChI: InChI=1S/C26H26N6O6.C24H26Cl2N4O10.C24H24N4O10.C24H28N4O6.C7H10N2O2.CBrN.8H2S/c1-35-23(33)13-7-17-21-19(9-13)37-11-15(31(21)25(27)29-17)5-3-4-6-16-12-38-20-10-14(24(34)36-2)8-18-22(20)32(16)26(28)30-18;1-37-23(31)13-7-17(29(33)34)21(25)19(9-13)39-11-15(27)5-3-4-6-16(28)12-40-20-10-14(24(32)38-2)8-18(22(20)26)30(35)36;1-35-23(29)13-7-17(27(31)32)21-19(9-13)37-11-15(25-21)5-3-4-6-16-12-38-20-10-14(24(30)36-2)8-18(28(33)34)22(20)26-16;1-31-23(29)13-7-17(25)21-19(9-13)33-11-15(27-21)5-3-4-6-16-12-34-20-10-14(24(30)32-2)8-18(26)22(20)28-16;1-3-9-6(7(10)11)4-5(2)8-9;2-1-3;;;;;;;;/h3-4,7-10,15-16H,5-6,11-12H2,1-2H3,(H2,27,29)(H2,28,30);3-4,7-10,15-16H,5-6,11-12,27-28H2,1-2H3;3-4,7-10,15-16,25-26H,5-6,11-12H2,1-2H3;3-4,7-10,15-16,27-28H,5-6,11-12,25-26H2,1-2H3;4H,3H2,1-2H3,(H,10,11);;8*1H2/b4*4-3-;;;;;;;;;;/t4*15-,16-;;;;;;;;;;/m0000........../s1
• InChIKey: OADUNRLJYXFBAO-NXXVFJJTSA-N
• XLogP: 15.80
• TPSA: 775.59 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 50
• Rotatable Bonds: 36
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2649.66
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane?

The IUPAC name of carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane (CID 163826774) is carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane.

What is the SMILES notation for carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane?

The canonical SMILES for carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane is CCn1nc(C)cc1C(=O)O.COC(=O)c1cc(N)c2c(c1)OC[C@H](C/C=C\C[C@H]1COc3cc(C(=O)OC)cc(N)c3N1)N2.COC(=O)c1cc(OC[C@@H](N)C/C=C\C[C@H](N)COc2cc(C(=O)OC)cc([N+](=O)[O-])c2Cl)c(Cl)c([N+](=O)[O-])c1.COC(=O)c1cc2c(c([N+](=O)[O-])c1)N[C@@H](C/C=C\C[C@H]1COc3cc(C(=O)OC)cc([N+](=O)[O-])c3N1)CO2.COC(=O)c1cc2c3c(c1)nc(N)n3[C@@H](C/C=C\C[C@H]1COc3cc(C(=O)OC)cc4nc(N)n1c34)CO2.N#CBr.S.S.S.S.S.S.S.S.

What is the InChIKey of carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane?

The InChIKey is OADUNRLJYXFBAO-NXXVFJJTSA-N. The full InChI is InChI=1S/C26H26N6O6.C24H26Cl2N4O10.C24H24N4O10.C24H28N4O6.C7H10N2O2.CBrN.8H2S/c1-35-23(33)13-7-17-21-19(9-13)37-11-15(31(21)25(27)29-17)5-3-4-6-16-12-38-20-10-14(24(34)36-2)8-18-22(20)32(16)26(28)30-18;1-37-23(31)13-7-17(29(33)34)21(25)19(9-13)39-11-15(27)5-3-4-6-16(28)12-40-20-10-14(24(32)38-2)8-18(22(20)26)30(35)36;1-35-23(29)13-7-17(27(31)32)21-19(9-13)37-11-15(25-21)5-3-4-6-16-12-38-20-10-14(24(30)36-2)8-18(28(33)34)22(20)26-16;1-31-23(29)13-7-17(25)21-19(9-13)33-11-15(27-21)5-3-4-6-16-12-34-20-10-14(24(30)32-2)8-18(26)22(20)28-16;1-3-9-6(7(10)11)4-5(2)8-9;2-1-3;;;;;;;;/h3-4,7-10,15-16H,5-6,11-12H2,1-2H3,(H2,27,29)(H2,28,30);3-4,7-10,15-16H,5-6,11-12,27-28H2,1-2H3;3-4,7-10,15-16,25-26H,5-6,11-12H2,1-2H3;3-4,7-10,15-16,27-28H,5-6,11-12,25-26H2,1-2H3;4H,3H2,1-2H3,(H,10,11);;8*1H2/b4*4-3-;;;;;;;;;;/t4*15-,16-;;;;;;;;;;/m0000........../s1.

What are the key properties of carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane?

carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane has a molecular weight of 2649.66 g/mol, XLogP of 15.80, 36 rotatable bonds, 11 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl (3S)-5-amino-3-[(Z)-4-[(3S)-5-amino-7-methoxycarbonyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;methyl (11S)-2-amino-11-[(Z)-4-[(11S)-2-amino-6-methoxycarbonyl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-11-yl]but-2-enyl]-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carboxylate;methyl 4-chloro-3-[(Z,2S,7S)-2,7-diamino-8-(2-chloro-5-methoxycarbonyl-3-nitrophenoxy)oct-4-enoxy]-5-nitrobenzoate;methyl (3S)-3-[(Z)-4-[(3S)-7-methoxycarbonyl-5-nitro-3,4-dihydro-2H-1,4-benzoxazin-3-yl]but-2-enyl]-5-nitro-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate;sulfane is sourced from PubChem (CID 163826774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).