[(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate

C328H350ClFN48O49 — CID 157194392

IUPAC[(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate
SMILESCC[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)N(CCCO)C(=O)OCc1ccncc1.CC[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)N(CCO)C(=O)OCc1ccncc1.C[C@H](OC(=O)N(CCCO)[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccncc1.C[C@H](OC(=O)N(CCN)[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cccnc1.C[C@H](OC(=O)N(CCN)[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cccnc1.C[C@H](OC(=O)N(CCN)[C@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cncc(Cl)c1.C[C@H](OC(=O)N(CCO)[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.C[C@H](OC(=O)N(CCO)[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccncc1.C[C@H](OC(=O)N(CCO)[C@H](C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cncc(F)c1.C[C@H](OC(=O)N(CCO)[C@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.C[C@H](OC(=O)N(CCOCCO)[C@@H](C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.Nc1ccccc1NC(=O)c1ccc([C@H](c2ccccc2)N(CCO)C(=O)OCc2cccnc2)cc1
InChIInChI=1S/C31H32N4O4.3C30H30N4O4.C29H28N4O4.C27H32N4O5.C26H30N4O4.C25H27ClN4O4.C25H27FN4O4.3C25H28N4O4/c1-22(23-16-18-33-19-17-23)39-31(38)35(20-7-21-36)29(24-8-3-2-4-9-24)25-12-14-26(15-13-25)30(37)34-28-11-6-5-10-27(28)32;2*1-21(25-10-7-17-32-20-25)38-30(37)34(18-19-35)28(22-8-3-2-4-9-22)23-13-15-24(16-14-23)29(36)33-27-12-6-5-11-26(27)31;1-21(22-15-17-32-18-16-22)38-30(37)34(19-20-35)28(23-7-3-2-4-8-23)24-11-13-25(14-12-24)29(36)33-27-10-6-5-9-26(27)31;30-25-10-4-5-11-26(25)32-28(35)24-14-12-23(13-15-24)27(22-8-2-1-3-9-22)33(17-18-34)29(36)37-20-21-7-6-16-31-19-21;1-19(21-9-11-22(12-10-21)26(33)30-25-8-4-3-7-24(25)28)31(14-16-35-17-15-32)27(34)36-20(2)23-6-5-13-29-18-23;1-2-24(30(16-5-17-31)26(33)34-18-19-12-14-28-15-13-19)20-8-10-21(11-9-20)25(32)29-23-7-4-3-6-22(23)27;1-16(30(12-11-27)25(33)34-17(2)20-13-21(26)15-28-14-20)18-7-9-19(10-8-18)24(32)29-22-5-3-4-6-23(22)31;1-16(30(11-12-31)25(33)34-17(2)20-13-21(26)15-28-14-20)18-7-9-19(10-8-18)24(32)29-23-6-4-3-5-22(23)27;2*1-17(29(15-13-26)25(32)33-18(2)21-6-5-14-27-16-21)19-9-11-20(12-10-19)24(31)28-22-7-3-4-8-23(22)30;1-2-23(29(15-16-30)25(32)33-17-18-11-13-27-14-12-18)19-7-9-20(10-8-19)24(31)28-22-6-4-3-5-21(22)26/h2-6,8-19,22,29,36H,7,20-21,32H2,1H3,(H,34,37);2*2-17,20-21,28,35H,18-19,31H2,1H3,(H,33,36);2-18,21,28,35H,19-20,31H2,1H3,(H,33,36);1-16,19,27,34H,17-18,20,30H2,(H,32,35);3-13,18-20,32H,14-17,28H2,1-2H3,(H,30,33);3-4,6-15,24,31H,2,5,16-18,27H2,1H3,(H,29,32);2*3-10,13-17,31H,11-12,27H2,1-2H3,(H,29,32);2*3-12,14,16-18,30H,13,15,26H2,1-2H3,(H,28,31);3-14,23,30H,2,15-17,26H2,1H3,(H,28,31)/t22-,29-;21-,28+;2*21-,28-;27-;19-,20-;24-;2*16-,17+;2*17-,18-;23-/m000000011000/s1
InChIKeyAQBOPXXBCMCOTM-BVUFJBBCSA-N
MW5803.15 g/mol
LogP56.13
Rot. Bonds108

About [(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate

[(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate (PubChem CID 157194392) has the molecular formula C328H350ClFN48O49 and a molecular weight of 5803.15 g/mol. Its IUPAC name is [(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Name[(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate
PubChem CID157194392
Molecular FormulaC328H350ClFN48O49
Molecular Weight5803.15 g/mol
Exact Mass5798.60
IUPAC Name[(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate
SMILESCC[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)N(CCCO)C(=O)OCc1ccncc1.CC[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)N(CCO)C(=O)OCc1ccncc1.C[C@H](OC(=O)N(CCCO)[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccncc1.C[C@H](OC(=O)N(CCN)[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cccnc1.C[C@H](OC(=O)N(CCN)[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cccnc1.C[C@H](OC(=O)N(CCN)[C@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cncc(Cl)c1.C[C@H](OC(=O)N(CCO)[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.C[C@H](OC(=O)N(CCO)[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccncc1.C[C@H](OC(=O)N(CCO)[C@H](C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cncc(F)c1.C[C@H](OC(=O)N(CCO)[C@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.C[C@H](OC(=O)N(CCOCCO)[C@@H](C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.Nc1ccccc1NC(=O)c1ccc([C@H](c2ccccc2)N(CCO)C(=O)OCc2cccnc2)cc1
InChIInChI=1S/C31H32N4O4.3C30H30N4O4.C29H28N4O4.C27H32N4O5.C26H30N4O4.C25H27ClN4O4.C25H27FN4O4.3C25H28N4O4/c1-22(23-16-18-33-19-17-23)39-31(38)35(20-7-21-36)29(24-8-3-2-4-9-24)25-12-14-26(15-13-25)30(37)34-28-11-6-5-10-27(28)32;2*1-21(25-10-7-17-32-20-25)38-30(37)34(18-19-35)28(22-8-3-2-4-9-22)23-13-15-24(16-14-23)29(36)33-27-12-6-5-11-26(27)31;1-21(22-15-17-32-18-16-22)38-30(37)34(19-20-35)28(23-7-3-2-4-8-23)24-11-13-25(14-12-24)29(36)33-27-10-6-5-9-26(27)31;30-25-10-4-5-11-26(25)32-28(35)24-14-12-23(13-15-24)27(22-8-2-1-3-9-22)33(17-18-34)29(36)37-20-21-7-6-16-31-19-21;1-19(21-9-11-22(12-10-21)26(33)30-25-8-4-3-7-24(25)28)31(14-16-35-17-15-32)27(34)36-20(2)23-6-5-13-29-18-23;1-2-24(30(16-5-17-31)26(33)34-18-19-12-14-28-15-13-19)20-8-10-21(11-9-20)25(32)29-23-7-4-3-6-22(23)27;1-16(30(12-11-27)25(33)34-17(2)20-13-21(26)15-28-14-20)18-7-9-19(10-8-18)24(32)29-22-5-3-4-6-23(22)31;1-16(30(11-12-31)25(33)34-17(2)20-13-21(26)15-28-14-20)18-7-9-19(10-8-18)24(32)29-23-6-4-3-5-22(23)27;2*1-17(29(15-13-26)25(32)33-18(2)21-6-5-14-27-16-21)19-9-11-20(12-10-19)24(31)28-22-7-3-4-8-23(22)30;1-2-23(29(15-16-30)25(32)33-17-18-11-13-27-14-12-18)19-7-9-20(10-8-19)24(31)28-22-6-4-3-5-21(22)26/h2-6,8-19,22,29,36H,7,20-21,32H2,1H3,(H,34,37);2*2-17,20-21,28,35H,18-19,31H2,1H3,(H,33,36);2-18,21,28,35H,19-20,31H2,1H3,(H,33,36);1-16,19,27,34H,17-18,20,30H2,(H,32,35);3-13,18-20,32H,14-17,28H2,1-2H3,(H,30,33);3-4,6-15,24,31H,2,5,16-18,27H2,1H3,(H,29,32);2*3-10,13-17,31H,11-12,27H2,1-2H3,(H,29,32);2*3-12,14,16-18,30H,13,15,26H2,1-2H3,(H,28,31);3-14,23,30H,2,15-17,26H2,1H3,(H,28,31)/t22-,29-;21-,28+;2*21-,28-;27-;19-,20-;24-;2*16-,17+;2*17-,18-;23-/m000000011000/s1
InChIKeyAQBOPXXBCMCOTM-BVUFJBBCSA-N
XLogP56.13
TPSA1422.59 Ų
H-Bond Donors36
H-Bond Acceptors73
Rotatable Bonds108
Heavy Atoms427
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005803.15
LogP ≤ 556.13
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1073

Analyze [(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate with MolForge

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What is the IUPAC name of [(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate?
The IUPAC name of [(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate (CID 157194392) is [(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for [(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate?
The canonical SMILES for [(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate is CC[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)N(CCCO)C(=O)OCc1ccncc1.CC[C@@H](c1ccc(C(=O)Nc2ccccc2N)cc1)N(CCO)C(=O)OCc1ccncc1.C[C@H](OC(=O)N(CCCO)[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccncc1.C[C@H](OC(=O)N(CCN)[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cccnc1.C[C@H](OC(=O)N(CCN)[C@@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cccnc1.C[C@H](OC(=O)N(CCN)[C@H](C)c1ccc(C(=O)Nc2ccccc2O)cc1)c1cncc(Cl)c1.C[C@H](OC(=O)N(CCO)[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.C[C@H](OC(=O)N(CCO)[C@@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccncc1.C[C@H](OC(=O)N(CCO)[C@H](C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cncc(F)c1.C[C@H](OC(=O)N(CCO)[C@H](c1ccccc1)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.C[C@H](OC(=O)N(CCOCCO)[C@@H](C)c1ccc(C(=O)Nc2ccccc2N)cc1)c1cccnc1.Nc1ccccc1NC(=O)c1ccc([C@H](c2ccccc2)N(CCO)C(=O)OCc2cccnc2)cc1.
What is the InChIKey of [(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate?
The InChIKey is AQBOPXXBCMCOTM-BVUFJBBCSA-N. The full InChI is InChI=1S/C31H32N4O4.3C30H30N4O4.C29H28N4O4.C27H32N4O5.C26H30N4O4.C25H27ClN4O4.C25H27FN4O4.3C25H28N4O4/c1-22(23-16-18-33-19-17-23)39-31(38)35(20-7-21-36)29(24-8-3-2-4-9-24)25-12-14-26(15-13-25)30(37)34-28-11-6-5-10-27(28)32;2*1-21(25-10-7-17-32-20-25)38-30(37)34(18-19-35)28(22-8-3-2-4-9-22)23-13-15-24(16-14-23)29(36)33-27-12-6-5-11-26(27)31;1-21(22-15-17-32-18-16-22)38-30(37)34(19-20-35)28(23-7-3-2-4-8-23)24-11-13-25(14-12-24)29(36)33-27-10-6-5-9-26(27)31;30-25-10-4-5-11-26(25)32-28(35)24-14-12-23(13-15-24)27(22-8-2-1-3-9-22)33(17-18-34)29(36)37-20-21-7-6-16-31-19-21;1-19(21-9-11-22(12-10-21)26(33)30-25-8-4-3-7-24(25)28)31(14-16-35-17-15-32)27(34)36-20(2)23-6-5-13-29-18-23;1-2-24(30(16-5-17-31)26(33)34-18-19-12-14-28-15-13-19)20-8-10-21(11-9-20)25(32)29-23-7-4-3-6-22(23)27;1-16(30(12-11-27)25(33)34-17(2)20-13-21(26)15-28-14-20)18-7-9-19(10-8-18)24(32)29-22-5-3-4-6-23(22)31;1-16(30(11-12-31)25(33)34-17(2)20-13-21(26)15-28-14-20)18-7-9-19(10-8-18)24(32)29-23-6-4-3-5-22(23)27;2*1-17(29(15-13-26)25(32)33-18(2)21-6-5-14-27-16-21)19-9-11-20(12-10-19)24(31)28-22-7-3-4-8-23(22)30;1-2-23(29(15-16-30)25(32)33-17-18-11-13-27-14-12-18)19-7-9-20(10-8-19)24(31)28-22-6-4-3-5-21(22)26/h2-6,8-19,22,29,36H,7,20-21,32H2,1H3,(H,34,37);2*2-17,20-21,28,35H,18-19,31H2,1H3,(H,33,36);2-18,21,28,35H,19-20,31H2,1H3,(H,33,36);1-16,19,27,34H,17-18,20,30H2,(H,32,35);3-13,18-20,32H,14-17,28H2,1-2H3,(H,30,33);3-4,6-15,24,31H,2,5,16-18,27H2,1H3,(H,29,32);2*3-10,13-17,31H,11-12,27H2,1-2H3,(H,29,32);2*3-12,14,16-18,30H,13,15,26H2,1-2H3,(H,28,31);3-14,23,30H,2,15-17,26H2,1H3,(H,28,31)/t22-,29-;21-,28+;2*21-,28-;27-;19-,20-;24-;2*16-,17+;2*17-,18-;23-/m000000011000/s1.
What are the key properties of [(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate?
[(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate has a molecular weight of 5803.15 g/mol, XLogP of 56.13, 108 rotatable bonds, 36 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-chloro-3-pyridinyl)ethyl] N-(2-aminoethyl)-N-[(1R)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate;[(1S)-1-(5-fluoro-3-pyridinyl)ethyl] N-[(1R)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-(2-hydroxyethyl)carbamate;bis([(1S)-1-pyridin-3-ylethyl] N-(2-aminoethyl)-N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate);[(1S)-1-pyridin-3-ylethyl] N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-3-ylethyl] N-[(R)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;[(1S)-1-pyridin-4-ylethyl] N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(3-hydroxypropyl)carbamate;pyridin-3-ylmethyl N-[(S)-[4-[(2-aminophenyl)carbamoyl]phenyl]-phenylmethyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(2-hydroxyethyl)carbamate;pyridin-4-ylmethyl N-[(1S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]propyl]-N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 157194392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).