(1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

C112H125F3N22O18S2 — CID 162279799

IUPAC(1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCCC/C=C\[C@@H]2C[C@]2(C(=O)O)NC(=O)[C@@H]2C[C@H](n3nc4cc(C(F)(F)F)cc(/C=C/c5ccccc5)c4n3)CN2C1=O.COc1ccc(-c2nn(C3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CCCC5)C(=O)N4C3)nc2-c2nccs2)cc1.COc1ccc(-c2nn([C@H]3C[C@H]4C(=O)N[C@@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@@H](NC(=O)c5cc6ccccc6[nH]5)C(=O)N4C3)nc2-c2nccs2)cc1
InChIInChI=1S/C39H40N8O6S.C38H43F3N6O6.C35H42N8O6S/c1-53-27-15-13-23(14-16-27)32-33(36-40-17-18-54-36)45-47(44-32)26-20-31-35(49)43-39(38(51)52)21-25(39)10-5-3-2-4-6-12-29(37(50)46(31)22-26)42-34(48)30-19-24-9-7-8-11-28(24)41-30;1-36(2,3)53-35(52)42-28-15-11-6-4-5-10-14-25-21-37(25,34(50)51)43-32(48)30-20-27(22-46(30)33(28)49)47-44-29-19-26(38(39,40)41)18-24(31(29)45-47)17-16-23-12-8-7-9-13-23;1-49-25-13-11-22(12-14-25)28-29(31-36-15-18-50-31)40-43(39-28)24-19-27-30(44)38-35(33(46)47)20-23(35)9-5-3-2-4-6-10-26(32(45)42(27)21-24)37-34(48)41-16-7-8-17-41/h5,7-11,13-19,25-26,29,31,41H,2-4,6,12,20-22H2,1H3,(H,42,48)(H,43,49)(H,51,52);7-10,12-14,16-19,25,27-28,30H,4-6,11,15,20-22H2,1-3H3,(H,42,52)(H,43,48)(H,50,51);5,9,11-15,18,23-24,26-27H,2-4,6-8,10,16-17,19-21H2,1H3,(H,37,48)(H,38,44)(H,46,47)/b10-5-;14-10-,17-16+;9-5-/t25-,26+,29-,31+,39+;25-,27+,28-,30+,37+;23-,24?,26+,27+,35-/m111/s1
InChIKeyGEDVSCOLLLVZFD-JOEVQPFOSA-N
MW2188.50 g/mol
LogP14.99
Rot. Bonds18

About (1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

(1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid (PubChem CID 162279799) has the molecular formula C112H125F3N22O18S2 and a molecular weight of 2188.50 g/mol. Its IUPAC name is (1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid.

Molecular Properties

Compound Name(1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
PubChem CID162279799
Molecular FormulaC112H125F3N22O18S2
Molecular Weight2188.50 g/mol
Exact Mass2186.89
IUPAC Name(1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCCC/C=C\[C@@H]2C[C@]2(C(=O)O)NC(=O)[C@@H]2C[C@H](n3nc4cc(C(F)(F)F)cc(/C=C/c5ccccc5)c4n3)CN2C1=O.COc1ccc(-c2nn(C3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CCCC5)C(=O)N4C3)nc2-c2nccs2)cc1.COc1ccc(-c2nn([C@H]3C[C@H]4C(=O)N[C@@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@@H](NC(=O)c5cc6ccccc6[nH]5)C(=O)N4C3)nc2-c2nccs2)cc1
InChIInChI=1S/C39H40N8O6S.C38H43F3N6O6.C35H42N8O6S/c1-53-27-15-13-23(14-16-27)32-33(36-40-17-18-54-36)45-47(44-32)26-20-31-35(49)43-39(38(51)52)21-25(39)10-5-3-2-4-6-12-29(37(50)46(31)22-26)42-34(48)30-19-24-9-7-8-11-28(24)41-30;1-36(2,3)53-35(52)42-28-15-11-6-4-5-10-14-25-21-37(25,34(50)51)43-32(48)30-20-27(22-46(30)33(28)49)47-44-29-19-26(38(39,40)41)18-24(31(29)45-47)17-16-23-12-8-7-9-13-23;1-49-25-13-11-22(12-14-25)28-29(31-36-15-18-50-31)40-43(39-28)24-19-27-30(44)38-35(33(46)47)20-23(35)9-5-3-2-4-6-10-26(32(45)42(27)21-24)37-34(48)41-16-7-8-17-41/h5,7-11,13-19,25-26,29,31,41H,2-4,6,12,20-22H2,1H3,(H,42,48)(H,43,49)(H,51,52);7-10,12-14,16-19,25,27-28,30H,4-6,11,15,20-22H2,1-3H3,(H,42,52)(H,43,48)(H,50,51);5,9,11-15,18,23-24,26-27H,2-4,6-8,10,16-17,19-21H2,1H3,(H,37,48)(H,38,44)(H,46,47)/b10-5-;14-10-,17-16+;9-5-/t25-,26+,29-,31+,39+;25-,27+,28-,30+,37+;23-,24?,26+,27+,35-/m111/s1
InChIKeyGEDVSCOLLLVZFD-JOEVQPFOSA-N
XLogP14.99
TPSA512.06 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002188.50
LogP ≤ 514.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?
The IUPAC name of (1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid (CID 162279799) is (1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid.
What is the SMILES notation for (1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?
The canonical SMILES for (1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid is CC(C)(C)OC(=O)N[C@@H]1CCCCC/C=C\[C@@H]2C[C@]2(C(=O)O)NC(=O)[C@@H]2C[C@H](n3nc4cc(C(F)(F)F)cc(/C=C/c5ccccc5)c4n3)CN2C1=O.COc1ccc(-c2nn(C3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CCCC5)C(=O)N4C3)nc2-c2nccs2)cc1.COc1ccc(-c2nn([C@H]3C[C@H]4C(=O)N[C@@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@@H](NC(=O)c5cc6ccccc6[nH]5)C(=O)N4C3)nc2-c2nccs2)cc1.
What is the InChIKey of (1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?
The InChIKey is GEDVSCOLLLVZFD-JOEVQPFOSA-N. The full InChI is InChI=1S/C39H40N8O6S.C38H43F3N6O6.C35H42N8O6S/c1-53-27-15-13-23(14-16-27)32-33(36-40-17-18-54-36)45-47(44-32)26-20-31-35(49)43-39(38(51)52)21-25(39)10-5-3-2-4-6-12-29(37(50)46(31)22-26)42-34(48)30-19-24-9-7-8-11-28(24)41-30;1-36(2,3)53-35(52)42-28-15-11-6-4-5-10-14-25-21-37(25,34(50)51)43-32(48)30-20-27(22-46(30)33(28)49)47-44-29-19-26(38(39,40)41)18-24(31(29)45-47)17-16-23-12-8-7-9-13-23;1-49-25-13-11-22(12-14-25)28-29(31-36-15-18-50-31)40-43(39-28)24-19-27-30(44)38-35(33(46)47)20-23(35)9-5-3-2-4-6-10-26(32(45)42(27)21-24)37-34(48)41-16-7-8-17-41/h5,7-11,13-19,25-26,29,31,41H,2-4,6,12,20-22H2,1H3,(H,42,48)(H,43,49)(H,51,52);7-10,12-14,16-19,25,27-28,30H,4-6,11,15,20-22H2,1-3H3,(H,42,52)(H,43,48)(H,50,51);5,9,11-15,18,23-24,26-27H,2-4,6-8,10,16-17,19-21H2,1H3,(H,37,48)(H,38,44)(H,46,47)/b10-5-;14-10-,17-16+;9-5-/t25-,26+,29-,31+,39+;25-,27+,28-,30+,37+;23-,24?,26+,27+,35-/m111/s1.
What are the key properties of (1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?
(1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid has a molecular weight of 2188.50 g/mol, XLogP of 14.99, 18 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,6S,7Z,14R,18S)-14-(1H-indole-2-carbonylamino)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4R,6S,7Z,14S)-18-[4-(4-methoxyphenyl)-5-(1,3-thiazol-2-yl)triazol-2-yl]-2,15-dioxo-14-(pyrrolidine-1-carbonylamino)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;(1S,4S,6S,7Z,14R,18S)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-18-[4-[(E)-2-phenylethenyl]-6-(trifluoromethyl)benzotriazol-2-yl]-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid is sourced from PubChem (CID 162279799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).