N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C189H270N24O36 — CID 158367045

IUPACN-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccn1)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](Cc1ccncc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](CC(=O)[C@H](CC(C)C)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)C[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.Cc1cc(C(=O)N[C@@H](Cc2ccccn2)C(=O)CC(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1
InChIInChI=1S/C37H47N5O6.C34H49N5O6.C33H40N4O5.C30H48N4O7.C29H45N3O6.C26H41N3O6/c1-25(2)19-31(34(44)37(3)12-13-37)40-35(45)27(20-26-9-5-4-6-10-26)21-33(43)30(22-28-11-7-8-14-38-28)39-36(46)32-23-29(48-41-32)24-42-15-17-47-18-16-42;1-22(2)16-27(36-33(43)29-20-26(45-38-29)21-39-12-14-44-15-13-39)30(40)19-25(18-24-6-10-35-11-7-24)32(42)37-28(17-23(3)4)31(41)34(5)8-9-34;1-21(2)16-27(30(39)33(4)13-14-33)36-31(40)24(18-23-10-6-5-7-11-23)19-29(38)26(20-25-12-8-9-15-34-25)35-32(41)28-17-22(3)42-37-28;1-19(2)13-23(31-29(38)25-16-22(41-33-25)17-34-9-11-40-12-10-34)26(35)15-21(18-39-6)28(37)32-24(14-20(3)4)27(36)30(5)7-8-30;1-18(2)13-22(26(34)29(4)11-12-29)30-27(35)21(15-20-9-7-6-8-10-20)16-25(33)24(17-37-5)31-28(36)23-14-19(3)38-32-23;1-15(2)10-18(24(32)27-19(11-16(3)4)23(31)26(6)8-9-26)13-22(30)21(14-34-7)28-25(33)20-12-17(5)35-29-20/h4-11,14,23,25,27,30-31H,12-13,15-22,24H2,1-3H3,(H,39,46)(H,40,45);6-7,10-11,20,22-23,25,27-28H,8-9,12-19,21H2,1-5H3,(H,36,43)(H,37,42);5-12,15,17,21,24,26-27H,13-14,16,18-20H2,1-4H3,(H,35,41)(H,36,40);16,19-21,23-24H,7-15,17-18H2,1-6H3,(H,31,38)(H,32,37);14,18,20-22,24H,6-13,15-17H2,1-5H3,(H,30,35)(H,31,36);12,15-16,18-19,21H,8-11,13-14H2,1-7H3,(H,27,32)(H,28,33)/t27-,30+,31+;25-,27+,28+;24?,26-,27-;21-,23-,24-;21-,22+,24+;18-,19+,21+/m110011/s1
InChIKeyGUDRJNRCWXBYHG-ANTNIBLPSA-N
MW3454.37 g/mol
LogP22.36
Rot. Bonds96

About N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-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-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 158367045) has the molecular formula C189H270N24O36 and a molecular weight of 3454.37 g/mol. Its IUPAC name is N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID158367045
Molecular FormulaC189H270N24O36
Molecular Weight3454.37 g/mol
Exact Mass3452.00
IUPAC NameN-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccn1)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](Cc1ccncc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](CC(=O)[C@H](CC(C)C)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)C[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.Cc1cc(C(=O)N[C@@H](Cc2ccccn2)C(=O)CC(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1
InChIInChI=1S/C37H47N5O6.C34H49N5O6.C33H40N4O5.C30H48N4O7.C29H45N3O6.C26H41N3O6/c1-25(2)19-31(34(44)37(3)12-13-37)40-35(45)27(20-26-9-5-4-6-10-26)21-33(43)30(22-28-11-7-8-14-38-28)39-36(46)32-23-29(48-41-32)24-42-15-17-47-18-16-42;1-22(2)16-27(36-33(43)29-20-26(45-38-29)21-39-12-14-44-15-13-39)30(40)19-25(18-24-6-10-35-11-7-24)32(42)37-28(17-23(3)4)31(41)34(5)8-9-34;1-21(2)16-27(30(39)33(4)13-14-33)36-31(40)24(18-23-10-6-5-7-11-23)19-29(38)26(20-25-12-8-9-15-34-25)35-32(41)28-17-22(3)42-37-28;1-19(2)13-23(31-29(38)25-16-22(41-33-25)17-34-9-11-40-12-10-34)26(35)15-21(18-39-6)28(37)32-24(14-20(3)4)27(36)30(5)7-8-30;1-18(2)13-22(26(34)29(4)11-12-29)30-27(35)21(15-20-9-7-6-8-10-20)16-25(33)24(17-37-5)31-28(36)23-14-19(3)38-32-23;1-15(2)10-18(24(32)27-19(11-16(3)4)23(31)26(6)8-9-26)13-22(30)21(14-34-7)28-25(33)20-12-17(5)35-29-20/h4-11,14,23,25,27,30-31H,12-13,15-22,24H2,1-3H3,(H,39,46)(H,40,45);6-7,10-11,20,22-23,25,27-28H,8-9,12-19,21H2,1-5H3,(H,36,43)(H,37,42);5-12,15,17,21,24,26-27H,13-14,16,18-20H2,1-4H3,(H,35,41)(H,36,40);16,19-21,23-24H,7-15,17-18H2,1-6H3,(H,31,38)(H,32,37);14,18,20-22,24H,6-13,15-17H2,1-5H3,(H,30,35)(H,31,36);12,15-16,18-19,21H,8-11,13-14H2,1-7H3,(H,27,32)(H,28,33)/t27-,30+,31+;25-,27+,28+;24?,26-,27-;21-,23-,24-;21-,22+,24+;18-,19+,21+/m110011/s1
InChIKeyGUDRJNRCWXBYHG-ANTNIBLPSA-N
XLogP22.36
TPSA813.99 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds96
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003454.37
LogP ≤ 522.36
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Analyze N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 158367045) is N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CC(C)C[C@H](NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccn1)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](Cc1ccncc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](CC(=O)[C@H](CC(C)C)NC(=O)c1cc(CN2CCOCC2)on1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COC[C@H](NC(=O)c1cc(C)on1)C(=O)C[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.Cc1cc(C(=O)N[C@@H](Cc2ccccn2)C(=O)CC(Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1.
What is the InChIKey of N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GUDRJNRCWXBYHG-ANTNIBLPSA-N. The full InChI is InChI=1S/C37H47N5O6.C34H49N5O6.C33H40N4O5.C30H48N4O7.C29H45N3O6.C26H41N3O6/c1-25(2)19-31(34(44)37(3)12-13-37)40-35(45)27(20-26-9-5-4-6-10-26)21-33(43)30(22-28-11-7-8-14-38-28)39-36(46)32-23-29(48-41-32)24-42-15-17-47-18-16-42;1-22(2)16-27(36-33(43)29-20-26(45-38-29)21-39-12-14-44-15-13-39)30(40)19-25(18-24-6-10-35-11-7-24)32(42)37-28(17-23(3)4)31(41)34(5)8-9-34;1-21(2)16-27(30(39)33(4)13-14-33)36-31(40)24(18-23-10-6-5-7-11-23)19-29(38)26(20-25-12-8-9-15-34-25)35-32(41)28-17-22(3)42-37-28;1-19(2)13-23(31-29(38)25-16-22(41-33-25)17-34-9-11-40-12-10-34)26(35)15-21(18-39-6)28(37)32-24(14-20(3)4)27(36)30(5)7-8-30;1-18(2)13-22(26(34)29(4)11-12-29)30-27(35)21(15-20-9-7-6-8-10-20)16-25(33)24(17-37-5)31-28(36)23-14-19(3)38-32-23;1-15(2)10-18(24(32)27-19(11-16(3)4)23(31)26(6)8-9-26)13-22(30)21(14-34-7)28-25(33)20-12-17(5)35-29-20/h4-11,14,23,25,27,30-31H,12-13,15-22,24H2,1-3H3,(H,39,46)(H,40,45);6-7,10-11,20,22-23,25,27-28H,8-9,12-19,21H2,1-5H3,(H,36,43)(H,37,42);5-12,15,17,21,24,26-27H,13-14,16,18-20H2,1-4H3,(H,35,41)(H,36,40);16,19-21,23-24H,7-15,17-18H2,1-6H3,(H,31,38)(H,32,37);14,18,20-22,24H,6-13,15-17H2,1-5H3,(H,30,35)(H,31,36);12,15-16,18-19,21H,8-11,13-14H2,1-7H3,(H,27,32)(H,28,33)/t27-,30+,31+;25-,27+,28+;24?,26-,27-;21-,23-,24-;21-,22+,24+;18-,19+,21+/m110011/s1.
What are the key properties of N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-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-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 3454.37 g/mol, XLogP of 22.36, 96 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,5R)-5-benzyl-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxo-1-pyridin-2-ylhexan-2-yl]-5-methyl-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-2-ylhexan-2-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-(cyclohexylmethyl)-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-1-methoxy-7-methyl-5-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]carbamoyl]-3-oxooctan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(4S,7S)-7-(methoxymethyl)-2-methyl-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-[(4S,7R)-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxo-7-(pyridin-4-ylmethyl)octan-4-yl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158367045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).