5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C244H328N32O41S2 — CID 161130360

About 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 161130360) has the molecular formula C244H328N32O41S2 and a molecular weight of 4429.62 g/mol. Its IUPAC name is 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• PubChem CID: 161130360
• Molecular Formula: C244H328N32O41S2
• Molecular Weight: 4429.62 g/mol
• Exact Mass: 4426.40
• IUPAC Name: 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• SMILES: CC(C)C[C@H](NC(=O)C(CC(=O)[C@H](Cc1cccnc1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc(CN2CCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](Cc1cscn1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)c1cc(CN2CCOCC2)on1)C(=O)C[C@@H](Cc1cscn1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.CCC[C@H](NC(=O)c1cc(CN2CCOCC2)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1
• InChI: InChI=1S/2C37H47N5O6.C35H45N5O6S.C35H48N4O6.C34H48N4O6.C34H46N4O5.C32H47N5O6S/c1-25(2)18-31(34(44)37(3)11-12-37)40-35(45)28(19-26-8-5-4-6-9-26)21-33(43)30(20-27-10-7-13-38-23-27)39-36(46)32-22-29(48-41-32)24-42-14-16-47-17-15-42;1-25(2)19-31(34(44)37(3)11-12-37)40-35(45)28(20-26-7-5-4-6-8-26)22-33(43)30(21-27-9-13-38-14-10-27)39-36(46)32-23-29(48-41-32)24-42-15-17-47-18-16-42;1-23(2)15-29(32(42)35(3)9-10-35)38-33(43)25(16-24-7-5-4-6-8-24)17-31(41)28(18-26-21-47-22-36-26)37-34(44)30-19-27(46-39-30)20-40-11-13-45-14-12-40;1-23(2)17-29(32(41)35(3)11-12-35)37-33(42)26(18-24-7-5-4-6-8-24)20-31(40)28(19-25-9-10-25)36-34(43)30-21-27(45-38-30)22-39-13-15-44-16-14-39;1-5-9-27(35-33(42)29-21-26(44-37-29)22-38-14-16-43-17-15-38)30(39)20-25(19-24-10-7-6-8-11-24)32(41)36-28(18-23(2)3)31(40)34(4)12-13-34;1-22(2)16-28(31(40)34(3)12-13-34)36-32(41)25(17-23-8-5-4-6-9-23)19-30(39)27(18-24-10-11-24)35-33(42)29-20-26(43-37-29)21-38-14-7-15-38;1-20(2)12-25(34-31(41)27-16-24(43-36-27)17-37-8-10-42-11-9-37)28(38)15-22(14-23-18-44-19-33-23)30(40)35-26(13-21(3)4)29(39)32(5)6-7-32/h4-10,13,22-23,25,28,30-31H,11-12,14-21,24H2,1-3H3,(H,39,46)(H,40,45);4-10,13-14,23,25,28,30-31H,11-12,15-22,24H2,1-3H3,(H,39,46)(H,40,45);4-8,19,21-23,25,28-29H,9-18,20H2,1-3H3,(H,37,44)(H,38,43);4-8,21,23,25-26,28-29H,9-20,22H2,1-3H3,(H,36,43)(H,37,42);6-8,10-11,21,23,25,27-28H,5,9,12-20,22H2,1-4H3,(H,35,42)(H,36,41);4-6,8-9,20,22,24-25,27-28H,7,10-19,21H2,1-3H3,(H,35,42)(H,36,41);16,18-22,25-26H,6-15,17H2,1-5H3,(H,34,41)(H,35,40)/t28?,30-,31-;28-,30+,31+;25-,28+,29+;26-,28+,29+;2*25-,27+,28+;22-,25+,26+/m0111111/s1
• InChIKey: UMCCRNALSIRJKI-DJUZWYJZSA-N
• XLogP: 28.51
• TPSA: 958.21 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 61
• Rotatable Bonds: 119
• Heavy Atoms: 319
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4429.62
LogP ≤ 5	28.51
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	61

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 161130360) is 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CC(C)C[C@H](NC(=O)C(CC(=O)[C@H](Cc1cccnc1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc(CN2CCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC1CC1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](Cc1cscn1)NC(=O)c1cc(CN2CCOCC2)on1)Cc1ccccc1)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)c1cc(CN2CCOCC2)on1)C(=O)C[C@@H](Cc1cscn1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.CCC[C@H](NC(=O)c1cc(CN2CCOCC2)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.

What is the InChIKey of 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?

The InChIKey is UMCCRNALSIRJKI-DJUZWYJZSA-N. The full InChI is InChI=1S/2C37H47N5O6.C35H45N5O6S.C35H48N4O6.C34H48N4O6.C34H46N4O5.C32H47N5O6S/c1-25(2)18-31(34(44)37(3)11-12-37)40-35(45)28(19-26-8-5-4-6-9-26)21-33(43)30(20-27-10-7-13-38-23-27)39-36(46)32-22-29(48-41-32)24-42-14-16-47-17-15-42;1-25(2)19-31(34(44)37(3)11-12-37)40-35(45)28(20-26-7-5-4-6-8-26)22-33(43)30(21-27-9-13-38-14-10-27)39-36(46)32-23-29(48-41-32)24-42-15-17-47-18-16-42;1-23(2)15-29(32(42)35(3)9-10-35)38-33(43)25(16-24-7-5-4-6-8-24)17-31(41)28(18-26-21-47-22-36-26)37-34(44)30-19-27(46-39-30)20-40-11-13-45-14-12-40;1-23(2)17-29(32(41)35(3)11-12-35)37-33(42)26(18-24-7-5-4-6-8-24)20-31(40)28(19-25-9-10-25)36-34(43)30-21-27(45-38-30)22-39-13-15-44-16-14-39;1-5-9-27(35-33(42)29-21-26(44-37-29)22-38-14-16-43-17-15-38)30(39)20-25(19-24-10-7-6-8-11-24)32(41)36-28(18-23(2)3)31(40)34(4)12-13-34;1-22(2)16-28(31(40)34(3)12-13-34)36-32(41)25(17-23-8-5-4-6-9-23)19-30(39)27(18-24-10-11-24)35-33(42)29-20-26(43-37-29)21-38-14-7-15-38;1-20(2)12-25(34-31(41)27-16-24(43-36-27)17-37-8-10-42-11-9-37)28(38)15-22(14-23-18-44-19-33-23)30(40)35-26(13-21(3)4)29(39)32(5)6-7-32/h4-10,13,22-23,25,28,30-31H,11-12,14-21,24H2,1-3H3,(H,39,46)(H,40,45);4-10,13-14,23,25,28,30-31H,11-12,15-22,24H2,1-3H3,(H,39,46)(H,40,45);4-8,19,21-23,25,28-29H,9-18,20H2,1-3H3,(H,37,44)(H,38,43);4-8,21,23,25-26,28-29H,9-20,22H2,1-3H3,(H,36,43)(H,37,42);6-8,10-11,21,23,25,27-28H,5,9,12-20,22H2,1-4H3,(H,35,42)(H,36,41);4-6,8-9,20,22,24-25,27-28H,7,10-19,21H2,1-3H3,(H,35,42)(H,36,41);16,18-22,25-26H,6-15,17H2,1-5H3,(H,34,41)(H,35,40)/t28?,30-,31-;28-,30+,31+;25-,28+,29+;26-,28+,29+;2*25-,27+,28+;22-,25+,26+/m0111111/s1.

What are the key properties of 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?

5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 4429.62 g/mol, XLogP of 28.51, 119 rotatable bonds, 14 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(azetidin-1-ylmethyl)-N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-cyclopropyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-3-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-4-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-(1,3-thiazol-4-yl)hexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(1,3-thiazol-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 161130360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).