(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide

C168H218F2N24O34S2 — CID 161214925

About (2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide

(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide (PubChem CID 161214925) has the molecular formula C168H218F2N24O34S2 and a molecular weight of 3219.86 g/mol. Its IUPAC name is (2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[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)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide
• PubChem CID: 161214925
• Molecular Formula: C168H218F2N24O34S2
• Molecular Weight: 3219.86 g/mol
• Exact Mass: 3217.55
• IUPAC Name: (2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide
• SMILES: C/C=C(CC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H]1C(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCSC[C@H]2C(=O)N[C@@H](C)C(=O)N2C[C@H](C)C[C@H]2C(=O)O[C@H]1C)\C(F)=C/CC.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)N3CCSC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)cc1.Cc1ccc(CC(=O)N[C@@H](Cc2cccc(C)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1.Cc1cccc(C[C@H](NC(=O)Cc2ccc(C)cc2F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)c1
• InChI: InChI=1S/C42H57FN6O9S.C42H53FN6O8.C42H54N6O9S.C42H54N6O8/c1-7-10-30(43)28(8-2)18-35(51)45-31(17-27-12-9-11-23(3)15-27)37(52)46-36-26(6)58-42(57)33-16-24(4)20-48(33)39(54)25(5)44-38(53)34-22-59-14-13-47(34)40(55)32-19-29(50)21-49(32)41(36)56;1-24-9-7-10-28(17-24)20-31(45-36(50)21-29-14-13-25(2)18-30(29)43)37(51)46-32-23-57-42(56)35-19-26(3)22-49(35)39(53)27(4)44-38(52)33-11-5-6-15-47(33)41(55)34-12-8-16-48(34)40(32)54;1-23-9-11-28(12-10-23)18-35(50)44-31(17-29-8-6-7-24(2)15-29)37(51)45-36-27(5)57-42(56)33-16-25(3)20-47(33)39(53)26(4)43-38(52)34-22-58-14-13-46(34)40(54)32-19-30(49)21-48(32)41(36)55;1-25-13-15-29(16-14-25)22-36(49)44-31(21-30-10-7-9-26(2)19-30)37(50)45-32-24-56-42(55)35-20-27(3)23-48(35)39(52)28(4)43-38(51)33-11-5-6-17-46(33)41(54)34-12-8-18-47(34)40(32)53/h8-12,15,24-26,29,31-34,36,50H,7,13-14,16-22H2,1-6H3,(H,44,53)(H,45,51)(H,46,52);7,9-10,13-14,17-18,26-27,31-35H,5-6,8,11-12,15-16,19-23H2,1-4H3,(H,44,52)(H,45,50)(H,46,51);6-12,15,25-27,30-34,36,49H,13-14,16-22H2,1-5H3,(H,43,52)(H,44,50)(H,45,51);7,9-10,13-16,19,27-28,31-35H,5-6,8,11-12,17-18,20-24H2,1-4H3,(H,43,51)(H,44,49)(H,45,50)/b28-8-,30-10+;;;/t24-,25+,26+,29-,31+,32+,33+,34+,36+;26-,27-,31-,32-,33-,34-,35-;25-,26+,27+,30-,31+,32+,33+,34+,36+;27-,28-,31-,32-,33-,34-,35-/m1010/s1
• InChIKey: UWSOPEYGPQSMAT-JVJBBNOHSA-N
• XLogP: 5.95
• TPSA: 738.58 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3219.86
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[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)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide (CID 161214925) is (2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[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)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[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)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide is C/C=C(CC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)N[C@@H]1C(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCSC[C@H]2C(=O)N[C@@H](C)C(=O)N2C[C@H](C)C[C@H]2C(=O)O[C@H]1C)\C(F)=C/CC.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)N3CCSC[C@H]3C(=O)N[C@@H](C)C(=O)N3C[C@H](C)C[C@H]3C(=O)O[C@H]2C)cc1.Cc1ccc(CC(=O)N[C@@H](Cc2cccc(C)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1.Cc1cccc(C[C@H](NC(=O)Cc2ccc(C)cc2F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)c1.

What is the InChIKey of (2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide?

The InChIKey is UWSOPEYGPQSMAT-JVJBBNOHSA-N. The full InChI is InChI=1S/C42H57FN6O9S.C42H53FN6O8.C42H54N6O9S.C42H54N6O8/c1-7-10-30(43)28(8-2)18-35(51)45-31(17-27-12-9-11-23(3)15-27)37(52)46-36-26(6)58-42(57)33-16-24(4)20-48(33)39(54)25(5)44-38(53)34-22-59-14-13-47(34)40(55)32-19-29(50)21-49(32)41(36)56;1-24-9-7-10-28(17-24)20-31(45-36(50)21-29-14-13-25(2)18-30(29)43)37(51)46-32-23-57-42(56)35-19-26(3)22-49(35)39(53)27(4)44-38(52)33-11-5-6-15-47(33)41(55)34-12-8-16-48(34)40(32)54;1-23-9-11-28(12-10-23)18-35(50)44-31(17-29-8-6-7-24(2)15-29)37(51)45-36-27(5)57-42(56)33-16-25(3)20-47(33)39(53)26(4)43-38(52)34-22-58-14-13-46(34)40(54)32-19-30(49)21-48(32)41(36)55;1-25-13-15-29(16-14-25)22-36(49)44-31(21-30-10-7-9-26(2)19-30)37(50)45-32-24-56-42(55)35-20-27(3)23-48(35)39(52)28(4)43-38(51)33-11-5-6-17-46(33)41(54)34-12-8-18-47(34)40(32)53/h8-12,15,24-26,29,31-34,36,50H,7,13-14,16-22H2,1-6H3,(H,44,53)(H,45,51)(H,46,52);7,9-10,13-14,17-18,26-27,31-35H,5-6,8,11-12,15-16,19-23H2,1-4H3,(H,44,52)(H,45,50)(H,46,51);6-12,15,25-27,30-34,36,49H,13-14,16-22H2,1-5H3,(H,43,52)(H,44,50)(H,45,51);7,9-10,13-16,19,27-28,31-35H,5-6,8,11-12,17-18,20-24H2,1-4H3,(H,43,51)(H,44,49)(H,45,50)/b28-8-,30-10+;;;/t24-,25+,26+,29-,31+,32+,33+,34+,36+;26-,27-,31-,32-,33-,34-,35-;25-,26+,27+,30-,31+,32+,33+,34+,36+;27-,28-,31-,32-,33-,34-,35-/m1010/s1.

What are the key properties of (2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-3-(3-methylphenyl)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide?

(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[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 3219.86 g/mol, XLogP of 5.95, 30 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(2-fluoro-4-methylphenyl)acetyl]amino]-3-(3-methylphenyl)propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-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)-2-[[2-(4-methylphenyl)acetyl]amino]propanamide;(E,3Z)-3-ethylidene-4-fluoro-N-[(2S)-1-[[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3-methylphenyl)-1-oxopropan-2-yl]hept-4-enamide;(2S)-N-[(3S,5R,9S,10S,13S,15R,19S,22R)-5-hydroxy-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11-oxa-24-thia-1,7,17,20-tetrazatetracyclo[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 161214925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).