acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid

C142H185Cl2MnN17O33 — CID 162081671

About acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid

acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid (PubChem CID 162081671) has the molecular formula C142H185Cl2MnN17O33 and a molecular weight of 2783.97 g/mol. Its IUPAC name is acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid.

Molecular Properties

• Compound Name: acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid
• PubChem CID: 162081671
• Molecular Formula: C142H185Cl2MnN17O33
• Molecular Weight: 2783.97 g/mol
• Exact Mass: 2781.21
• IUPAC Name: acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid
• SMILES: C.CC(=O)O.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1C(=O)OCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCC(OC(=O)[C@@H]1C[C@H](C)CN1C(=O)OC(C)(C)C)C3=O)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1c1ncc(-c2ccc3c(c2)COc2cc4c(cc2-3)CCC2=C4CC([C@@H]3C[C@H](C)CN3C(=O)OC(C)(C)C)=N2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1c1ncc(-c2ccc3c(c2)COc2cc4c5c(ccc4cc2-3)N=C([C@@H]2C[C@H](C)CN2C(=O)OC(C)(C)C)C5)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)O)[C@@H](C)OC.ClCCl.N.O=[Mn]=O
• InChI: InChI=1S/C44H54N6O6.C44H52N6O6.C43H53N3O12.C7H13NO5.C2H4O2.CH2Cl2.CH4.Mn.H3N.2O/c2*1-23(2)39(48-42(52)54-8)41(51)50-25(4)9-14-36(50)40-45-20-35(47-40)27-10-12-29-28(16-27)22-55-38-19-30-26(17-32(29)38)11-13-33-31(30)18-34(46-33)37-15-24(3)21-49(37)43(53)56-44(5,6)7;1-22(2)36(44-41(52)54-8)38(49)46-24(4)9-13-31(46)39(50)56-21-33(47)26-10-12-28-27(16-26)20-55-35-18-29-25(17-30(28)35)11-14-34(37(29)48)57-40(51)32-15-23(3)19-45(32)42(53)58-43(5,6)7;1-4(12-2)5(6(9)10)8-7(11)13-3;1-2(3)4;2-1-3;;;;;/h10,12,16-17,19-20,23-25,36-37,39H,9,11,13-15,18,21-22H2,1-8H3,(H,45,47)(H,48,52);10-13,16-17,19-20,23-25,36-37,39H,9,14-15,18,21-22H2,1-8H3,(H,45,47)(H,48,52);10,12,16-18,22-24,31-32,34,36H,9,11,13-15,19-21H2,1-8H3,(H,44,52);4-5H,1-3H3,(H,8,11)(H,9,10);1H3,(H,3,4);1H2;1H4;;1H3;;/t2*24-,25-,36-,37-,39-;23-,24-,31-,32-,34?,36-;4-,5+;;;;;;;/m0001......./s1
• InChIKey: ADUNKCXAAPYAAI-OCXJMSDQSA-N
• XLogP: 24.03
• TPSA: 652.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2783.97
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid?

The IUPAC name of acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid (CID 162081671) is acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid.

What is the SMILES notation for acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid?

The canonical SMILES for acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid is C.CC(=O)O.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1C(=O)OCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCC(OC(=O)[C@@H]1C[C@H](C)CN1C(=O)OC(C)(C)C)C3=O)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1c1ncc(-c2ccc3c(c2)COc2cc4c(cc2-3)CCC2=C4CC([C@@H]3C[C@H](C)CN3C(=O)OC(C)(C)C)=N2)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)N1[C@@H](C)CC[C@H]1c1ncc(-c2ccc3c(c2)COc2cc4c5c(ccc4cc2-3)N=C([C@@H]2C[C@H](C)CN2C(=O)OC(C)(C)C)C5)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)O)[C@@H](C)OC.ClCCl.N.O=[Mn]=O.

What is the InChIKey of acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid?

The InChIKey is ADUNKCXAAPYAAI-OCXJMSDQSA-N. The full InChI is InChI=1S/C44H54N6O6.C44H52N6O6.C43H53N3O12.C7H13NO5.C2H4O2.CH2Cl2.CH4.Mn.H3N.2O/c2*1-23(2)39(48-42(52)54-8)41(51)50-25(4)9-14-36(50)40-45-20-35(47-40)27-10-12-29-28(16-27)22-55-38-19-30-26(17-32(29)38)11-13-33-31(30)18-34(46-33)37-15-24(3)21-49(37)43(53)56-44(5,6)7;1-22(2)36(44-41(52)54-8)38(49)46-24(4)9-13-31(46)39(50)56-21-33(47)26-10-12-28-27(16-26)20-55-35-18-29-25(17-30(28)35)11-14-34(37(29)48)57-40(51)32-15-23(3)19-45(32)42(53)58-43(5,6)7;1-4(12-2)5(6(9)10)8-7(11)13-3;1-2(3)4;2-1-3;;;;;/h10,12,16-17,19-20,23-25,36-37,39H,9,11,13-15,18,21-22H2,1-8H3,(H,45,47)(H,48,52);10-13,16-17,19-20,23-25,36-37,39H,9,14-15,18,21-22H2,1-8H3,(H,45,47)(H,48,52);10,12,16-18,22-24,31-32,34,36H,9,11,13-15,19-21H2,1-8H3,(H,44,52);4-5H,1-3H3,(H,8,11)(H,9,10);1H3,(H,3,4);1H2;1H4;;1H3;;/t2*24-,25-,36-,37-,39-;23-,24-,31-,32-,34?,36-;4-,5+;;;;;;;/m0001......./s1.

What are the key properties of acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid?

acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid has a molecular weight of 2783.97 g/mol, XLogP of 24.03, 25 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;azane;1-O-tert-butyl 2-O-[3-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxyacetyl]-8-oxo-5,9,10,11-tetrahydronaphtho[3,2-c]isochromen-9-yl] (2S,4S)-4-methylpyrrolidine-1,2-dicarboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,9,11,14(19),15,17-nonaen-6-yl]-4-methylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[17-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-7-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),6,11,14(19),15,17-octaen-6-yl]-4-methylpyrrolidine-1-carboxylate;dichloromethane;dioxomanganese;methane;(2S,3R)-3-methoxy-2-(methoxycarbonylamino)butanoic acid is sourced from PubChem (CID 162081671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).