N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide

C189H258N20O38S — CID 160707355

IUPACN-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc(CN2CCOC[C@@H]2C)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COCC[C@H](NC(=O)c1cc(C(C)C)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COCC[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.COC[C@H](NC(=O)c1cc(CO)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COCc1cc(C(=O)N[C@@H](COC)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1.COCc1cc(C(=O)N[C@@H](Cc2cscn2)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1
InChIInChI=1S/C36H52N4O6.C32H40N4O6S.C32H45N3O6.C30H41N3O7.C30H41N3O6.C29H39N3O7/c1-23(2)16-29(37-35(44)31-20-28(46-39-31)21-40-14-15-45-22-25(40)5)32(41)19-27(18-26-10-8-7-9-11-26)34(43)38-30(17-24(3)4)33(42)36(6)12-13-36;1-20(2)12-26(29(38)32(3)10-11-32)35-30(39)22(13-21-8-6-5-7-9-21)14-28(37)25(15-23-18-43-19-33-23)34-31(40)27-16-24(17-41-4)42-36-27;1-20(2)16-25(29(37)32(5)13-14-32)34-30(38)23(17-22-10-8-7-9-11-22)18-27(36)24(12-15-40-6)33-31(39)26-19-28(21(3)4)41-35-26;1-19(2)13-23(27(35)30(3)11-12-30)31-28(36)21(14-20-9-7-6-8-10-20)15-26(34)25(18-39-5)32-29(37)24-16-22(17-38-4)40-33-24;1-19(2)15-24(27(35)30(4)12-13-30)32-28(36)22(17-21-9-7-6-8-10-21)18-26(34)23(11-14-38-5)31-29(37)25-16-20(3)39-33-25;1-18(2)12-22(26(35)29(3)10-11-29)30-27(36)20(13-19-8-6-5-7-9-19)14-25(34)24(17-38-4)31-28(37)23-15-21(16-33)39-32-23/h7-11,20,23-25,27,29-30H,12-19,21-22H2,1-6H3,(H,37,44)(H,38,43);5-9,16,18-20,22,25-26H,10-15,17H2,1-4H3,(H,34,40)(H,35,39);7-11,19-21,23-25H,12-18H2,1-6H3,(H,33,39)(H,34,38);6-10,16,19,21,23,25H,11-15,17-18H2,1-5H3,(H,31,36)(H,32,37);6-10,16,19,22-24H,11-15,17-18H2,1-5H3,(H,31,37)(H,32,36);5-9,15,18,20,22,24,33H,10-14,16-17H2,1-4H3,(H,30,36)(H,31,37)/t25-,27+,29-,30-;22-,25+,26+;23-,24+,25+;21-,23+,25+;22-,23+,24+;20-,22+,24+/m011111/s1
InChIKeyRRKABJNFXPFYES-XHVGVJFRSA-N
MW3450.31 g/mol
LogP23.50
Rot. Bonds100

About N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide

N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 160707355) has the molecular formula C189H258N20O38S and a molecular weight of 3450.31 g/mol. Its IUPAC name is N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID160707355
Molecular FormulaC189H258N20O38S
Molecular Weight3450.31 g/mol
Exact Mass3447.86
IUPAC NameN-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cc(CN2CCOC[C@@H]2C)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COCC[C@H](NC(=O)c1cc(C(C)C)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COCC[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.COC[C@H](NC(=O)c1cc(CO)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COCc1cc(C(=O)N[C@@H](COC)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1.COCc1cc(C(=O)N[C@@H](Cc2cscn2)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1
InChIInChI=1S/C36H52N4O6.C32H40N4O6S.C32H45N3O6.C30H41N3O7.C30H41N3O6.C29H39N3O7/c1-23(2)16-29(37-35(44)31-20-28(46-39-31)21-40-14-15-45-22-25(40)5)32(41)19-27(18-26-10-8-7-9-11-26)34(43)38-30(17-24(3)4)33(42)36(6)12-13-36;1-20(2)12-26(29(38)32(3)10-11-32)35-30(39)22(13-21-8-6-5-7-9-21)14-28(37)25(15-23-18-43-19-33-23)34-31(40)27-16-24(17-41-4)42-36-27;1-20(2)16-25(29(37)32(5)13-14-32)34-30(38)23(17-22-10-8-7-9-11-22)18-27(36)24(12-15-40-6)33-31(39)26-19-28(21(3)4)41-35-26;1-19(2)13-23(27(35)30(3)11-12-30)31-28(36)21(14-20-9-7-6-8-10-20)15-26(34)25(18-39-5)32-29(37)24-16-22(17-38-4)40-33-24;1-19(2)15-24(27(35)30(4)12-13-30)32-28(36)22(17-21-9-7-6-8-10-21)18-26(34)23(11-14-38-5)31-29(37)25-16-20(3)39-33-25;1-18(2)12-22(26(35)29(3)10-11-29)30-27(36)20(13-19-8-6-5-7-9-19)14-25(34)24(17-38-4)31-28(37)23-15-21(16-33)39-32-23/h7-11,20,23-25,27,29-30H,12-19,21-22H2,1-6H3,(H,37,44)(H,38,43);5-9,16,18-20,22,25-26H,10-15,17H2,1-4H3,(H,34,40)(H,35,39);7-11,19-21,23-25H,12-18H2,1-6H3,(H,33,39)(H,34,38);6-10,16,19,21,23,25H,11-15,17-18H2,1-5H3,(H,31,36)(H,32,37);6-10,16,19,22-24H,11-15,17-18H2,1-5H3,(H,31,37)(H,32,36);5-9,15,18,20,22,24,33H,10-14,16-17H2,1-4H3,(H,30,36)(H,31,37)/t25-,27+,29-,30-;22-,25+,26+;23-,24+,25+;21-,23+,25+;22-,23+,24+;20-,22+,24+/m011111/s1
InChIKeyRRKABJNFXPFYES-XHVGVJFRSA-N
XLogP23.50
TPSA811.19 Ų
H-Bond Donors13
H-Bond Acceptors47
Rotatable Bonds100
Heavy Atoms248
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003450.31
LogP ≤ 523.50
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1047

Analyze N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide (CID 160707355) is N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide is CC(C)C[C@H](NC(=O)c1cc(CN2CCOC[C@@H]2C)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COCC[C@H](NC(=O)c1cc(C(C)C)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COCC[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.COC[C@H](NC(=O)c1cc(CO)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.COCc1cc(C(=O)N[C@@H](COC)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1.COCc1cc(C(=O)N[C@@H](Cc2cscn2)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)C2(C)CC2)no1.
What is the InChIKey of N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RRKABJNFXPFYES-XHVGVJFRSA-N. The full InChI is InChI=1S/C36H52N4O6.C32H40N4O6S.C32H45N3O6.C30H41N3O7.C30H41N3O6.C29H39N3O7/c1-23(2)16-29(37-35(44)31-20-28(46-39-31)21-40-14-15-45-22-25(40)5)32(41)19-27(18-26-10-8-7-9-11-26)34(43)38-30(17-24(3)4)33(42)36(6)12-13-36;1-20(2)12-26(29(38)32(3)10-11-32)35-30(39)22(13-21-8-6-5-7-9-21)14-28(37)25(15-23-18-43-19-33-23)34-31(40)27-16-24(17-41-4)42-36-27;1-20(2)16-25(29(37)32(5)13-14-32)34-30(38)23(17-22-10-8-7-9-11-22)18-27(36)24(12-15-40-6)33-31(39)26-19-28(21(3)4)41-35-26;1-19(2)13-23(27(35)30(3)11-12-30)31-28(36)21(14-20-9-7-6-8-10-20)15-26(34)25(18-39-5)32-29(37)24-16-22(17-38-4)40-33-24;1-19(2)15-24(27(35)30(4)12-13-30)32-28(36)22(17-21-9-7-6-8-10-21)18-26(34)23(11-14-38-5)31-29(37)25-16-20(3)39-33-25;1-18(2)12-22(26(35)29(3)10-11-29)30-27(36)20(13-19-8-6-5-7-9-19)14-25(34)24(17-38-4)31-28(37)23-15-21(16-33)39-32-23/h7-11,20,23-25,27,29-30H,12-19,21-22H2,1-6H3,(H,37,44)(H,38,43);5-9,16,18-20,22,25-26H,10-15,17H2,1-4H3,(H,34,40)(H,35,39);7-11,19-21,23-25H,12-18H2,1-6H3,(H,33,39)(H,34,38);6-10,16,19,21,23,25H,11-15,17-18H2,1-5H3,(H,31,36)(H,32,37);6-10,16,19,22-24H,11-15,17-18H2,1-5H3,(H,31,37)(H,32,36);5-9,15,18,20,22,24,33H,10-14,16-17H2,1-4H3,(H,30,36)(H,31,37)/t25-,27+,29-,30-;22-,25+,26+;23-,24+,25+;21-,23+,25+;22-,23+,24+;20-,22+,24+/m011111/s1.
What are the key properties of N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 3450.31 g/mol, XLogP of 23.50, 100 rotatable bonds, 13 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-benzyl-1-methoxy-7-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-4,7-dioxoheptan-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(hydroxymethyl)-1,2-oxazole-3-carboxamide;N-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-(methoxymethyl)-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-(methoxymethyl)-1,2-oxazole-3-carboxamide;N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160707355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).