(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide

C175H227FN25O42P — CID 159249674

About (2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide

(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide (PubChem CID 159249674) has the molecular formula C175H227FN25O42P and a molecular weight of 3402.85 g/mol. Its IUPAC name is (2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide
• PubChem CID: 159249674
• Molecular Formula: C175H227FN25O42P
• Molecular Weight: 3402.85 g/mol
• Exact Mass: 3400.61
• IUPAC Name: (2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide
• SMILES: Cc1ccc(CC(=O)N[C@@H](Cc2cccc(C)c2)C(=O)N[C@@H]2C(=O)N3C[C@H](O)C[C@H]3C(=O)N3CCN(C)C[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)cc1.Cc1cccc(C[C@H](NC(=O)Cc2ccc(C)cc2F)C(=O)N[C@@H]2C(=O)N3C[C@H](OP(=O)(O)O)C[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)c1.Cc1cccc(C[C@H](NC(=O)Cc2ccc3c(c2)OCCC3)C(=O)N[C@@H]2C(=O)N3C[C@H](O)C[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)c1.Cc1cccc(C[C@H](NC(=O)Cc2ccc3c(c2)OCCC3)C(=O)N[C@@H]2C(=O)N3C[C@H](O)C[C@H]3C(=O)N3CCOC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)c1
• InChI: InChI=1S/C45H58N6O10.C44H56N6O11.C43H56FN6O12P.C43H57N7O9/c1-25-9-7-10-29(17-25)19-33(47-38(53)21-30-13-14-31-11-8-16-60-37(31)20-30)40(54)48-39-28(4)61-45(59)36-18-26(2)23-50(36)42(56)27(3)46-41(55)34-12-5-6-15-49(34)43(57)35-22-32(52)24-51(35)44(39)58;1-24-7-5-8-28(15-24)17-32(46-37(52)19-29-10-11-30-9-6-13-60-36(30)18-29)39(53)47-38-27(4)61-44(58)34-16-25(2)21-49(34)41(55)26(3)45-40(54)35-23-59-14-12-48(35)42(56)33-20-31(51)22-50(33)43(38)57;1-23-9-8-10-28(15-23)18-32(46-36(51)19-29-13-12-24(2)16-31(29)44)38(52)47-37-27(5)61-43(57)35-17-25(3)21-49(35)40(54)26(4)45-39(53)33-11-6-7-14-48(33)41(55)34-20-30(62-63(58,59)60)22-50(34)42(37)56;1-24-10-12-29(13-11-24)19-36(52)45-32(18-30-9-7-8-25(2)16-30)38(53)46-37-28(5)59-43(58)34-17-26(3)21-49(34)40(55)27(4)44-39(54)35-23-47(6)14-15-48(35)41(56)33-20-31(51)22-50(33)42(37)57/h7,9-10,13-14,17,20,26-28,32-36,39,52H,5-6,8,11-12,15-16,18-19,21-24H2,1-4H3,(H,46,55)(H,47,53)(H,48,54);5,7-8,10-11,15,18,25-27,31-35,38,51H,6,9,12-14,16-17,19-23H2,1-4H3,(H,45,54)(H,46,52)(H,47,53);8-10,12-13,15-16,25-27,30,32-35,37H,6-7,11,14,17-22H2,1-5H3,(H,45,53)(H,46,51)(H,47,52)(H2,58,59,60);7-13,16,26-28,31-35,37,51H,14-15,17-23H2,1-6H3,(H,44,54)(H,45,52)(H,46,53)/t26-,27+,28+,32-,33+,34+,35+,36+,39+;25-,26+,27+,31-,32+,33+,34+,35+,38+;25-,26+,27+,30-,32+,33+,34+,35+,37+;26-,27+,28+,31-,32+,33+,34+,35+,37+/m1111/s1
• InChIKey: KVCYZVJJTWMNNP-BOFSHBCASA-N
• XLogP: 2.25
• TPSA: 856.50 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 41
• Rotatable Bonds: 30
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3402.85
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide?

The IUPAC name of (2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide (CID 159249674) is (2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide.

What is the SMILES notation for (2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide?

The canonical SMILES for (2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide is Cc1ccc(CC(=O)N[C@@H](Cc2cccc(C)c2)C(=O)N[C@@H]2C(=O)N3C[C@H](O)C[C@H]3C(=O)N3CCN(C)C[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)cc1.Cc1cccc(C[C@H](NC(=O)Cc2ccc(C)cc2F)C(=O)N[C@@H]2C(=O)N3C[C@H](OP(=O)(O)O)C[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)c1.Cc1cccc(C[C@H](NC(=O)Cc2ccc3c(c2)OCCC3)C(=O)N[C@@H]2C(=O)N3C[C@H](O)C[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)c1.Cc1cccc(C[C@H](NC(=O)Cc2ccc3c(c2)OCCC3)C(=O)N[C@@H]2C(=O)N3C[C@H](O)C[C@H]3C(=O)N3CCOC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)c1.

What is the InChIKey of (2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide?

The InChIKey is KVCYZVJJTWMNNP-BOFSHBCASA-N. The full InChI is InChI=1S/C45H58N6O10.C44H56N6O11.C43H56FN6O12P.C43H57N7O9/c1-25-9-7-10-29(17-25)19-33(47-38(53)21-30-13-14-31-11-8-16-60-37(31)20-30)40(54)48-39-28(4)61-45(59)36-18-26(2)23-50(36)42(56)27(3)46-41(55)34-12-5-6-15-49(34)43(57)35-22-32(52)24-51(35)44(39)58;1-24-7-5-8-28(15-24)17-32(46-37(52)19-29-10-11-30-9-6-13-60-36(30)18-29)39(53)47-38-27(4)61-44(58)34-16-25(2)21-49(34)41(55)26(3)45-40(54)35-23-59-14-12-48(35)42(56)33-20-31(51)22-50(33)43(38)57;1-23-9-8-10-28(15-23)18-32(46-36(51)19-29-13-12-24(2)16-31(29)44)38(52)47-37-27(5)61-43(57)35-17-25(3)21-49(35)40(54)26(4)45-39(53)33-11-6-7-14-48(33)41(55)34-20-30(62-63(58,59)60)22-50(34)42(37)56;1-24-10-12-29(13-11-24)19-36(52)45-32(18-30-9-7-8-25(2)16-30)38(53)46-37-28(5)59-43(58)34-17-26(3)21-49(34)40(55)27(4)44-39(54)35-23-47(6)14-15-48(35)41(56)33-20-31(51)22-50(33)42(37)57/h7,9-10,13-14,17,20,26-28,32-36,39,52H,5-6,8,11-12,15-16,18-19,21-24H2,1-4H3,(H,46,55)(H,47,53)(H,48,54);5,7-8,10-11,15,18,25-27,31-35,38,51H,6,9,12-14,16-17,19-23H2,1-4H3,(H,45,54)(H,46,52)(H,47,53);8-10,12-13,15-16,25-27,30,32-35,37H,6-7,11,14,17-22H2,1-5H3,(H,45,53)(H,46,51)(H,47,52)(H2,58,59,60);7-13,16,26-28,31-35,37,51H,14-15,17-23H2,1-6H3,(H,44,54)(H,45,52)(H,46,53)/t26-,27+,28+,32-,33+,34+,35+,36+,39+;25-,26+,27+,31-,32+,33+,34+,35+,38+;25-,26+,27+,30-,32+,33+,34+,35+,37+;26-,27+,28+,31-,32+,33+,34+,35+,37+/m1111/s1.

What are the key properties of (2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide?

(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide has a molecular weight of 3402.85 g/mol, XLogP of 2.25, 30 rotatable bonds, 17 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;(2S)-2-[[2-(3,4-dihydro-2H-chromen-7-yl)acetyl]amino]-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)propanamide;[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22S)-5-hydroxy-10,15,19,24-tetramethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20,24-pentazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 159249674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).