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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide

C154H212N16O30 — CID 160553204

IUPACN-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)C[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.CCc1cc(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.COC[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.COC[C@H](NC(=O)c1cc(C)no1)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(C)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1
InChIInChI=1S/C35H50N4O6.C31H43N3O6.C30H41N3O6.2C29H39N3O6/c1-23(2)17-28(36-34(43)30-21-27(45-38-30)22-39-13-15-44-16-14-39)31(40)20-26(19-25-9-7-6-8-10-25)33(42)37-29(18-24(3)4)32(41)35(5)11-12-35;1-19(2)14-23(28(36)31(5)12-13-31)32-29(37)22(15-21-10-8-7-9-11-21)16-26(35)25(18-39-6)33-30(38)24-17-27(20(3)4)40-34-24;1-6-22-17-24(33-39-22)29(37)32-25(18-38-5)26(34)16-21(15-20-10-8-7-9-11-20)28(36)31-23(14-19(2)3)27(35)30(4)12-13-30;1-18(2)13-22(26(34)29(4)11-12-29)30-27(35)21(15-20-9-7-6-8-10-20)16-24(33)23(17-37-5)31-28(36)25-14-19(3)32-38-25;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/h6-10,21,23-24,26,28-29H,11-20,22H2,1-5H3,(H,36,43)(H,37,42);7-11,17,19-20,22-23,25H,12-16,18H2,1-6H3,(H,32,37)(H,33,38);7-11,17,19,21,23,25H,6,12-16,18H2,1-5H3,(H,31,36)(H,32,37);6-10,14,18,21-23H,11-13,15-17H2,1-5H3,(H,30,35)(H,31,36);6-10,14,18,21-22,24H,11-13,15-17H2,1-5H3,(H,30,35)(H,31,36)/t26-,28+,29+;22-,23+,25+;21-,23+,25+;21-,22+,23+;21-,22+,24+/m11111/s1
InChIKeyQYIOWMPDPCYGOZ-MAGHZGSISA-N
MW2767.47 g/mol
LogP19.22
Rot. Bonds79

About 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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 160553204) has the molecular formula C154H212N16O30 and a molecular weight of 2767.47 g/mol. Its IUPAC name is 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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID160553204
Molecular FormulaC154H212N16O30
Molecular Weight2767.47 g/mol
Exact Mass2765.56
IUPAC NameN-[(2S,5R)-5-benzyl-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)C[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.CCc1cc(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.COC[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.COC[C@H](NC(=O)c1cc(C)no1)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(C)on1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1
InChIInChI=1S/C35H50N4O6.C31H43N3O6.C30H41N3O6.2C29H39N3O6/c1-23(2)17-28(36-34(43)30-21-27(45-38-30)22-39-13-15-44-16-14-39)31(40)20-26(19-25-9-7-6-8-10-25)33(42)37-29(18-24(3)4)32(41)35(5)11-12-35;1-19(2)14-23(28(36)31(5)12-13-31)32-29(37)22(15-21-10-8-7-9-11-21)16-26(35)25(18-39-6)33-30(38)24-17-27(20(3)4)40-34-24;1-6-22-17-24(33-39-22)29(37)32-25(18-38-5)26(34)16-21(15-20-10-8-7-9-11-20)28(36)31-23(14-19(2)3)27(35)30(4)12-13-30;1-18(2)13-22(26(34)29(4)11-12-29)30-27(35)21(15-20-9-7-6-8-10-20)16-24(33)23(17-37-5)31-28(36)25-14-19(3)32-38-25;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/h6-10,21,23-24,26,28-29H,11-20,22H2,1-5H3,(H,36,43)(H,37,42);7-11,17,19-20,22-23,25H,12-16,18H2,1-6H3,(H,32,37)(H,33,38);7-11,17,19,21,23,25H,6,12-16,18H2,1-5H3,(H,31,36)(H,32,37);6-10,14,18,21-23H,11-13,15-17H2,1-5H3,(H,30,35)(H,31,36);6-10,14,18,21-22,24H,11-13,15-17H2,1-5H3,(H,30,35)(H,31,36)/t26-,28+,29+;22-,23+,25+;21-,23+,25+;21-,22+,23+;21-,22+,24+/m11111/s1
InChIKeyQYIOWMPDPCYGOZ-MAGHZGSISA-N
XLogP19.22
TPSA641.24 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds79
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002767.47
LogP ≤ 519.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(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-1-methoxy-6-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-3,6-dioxohexan-2-yl]-5-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide (CID 160553204) is 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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is CC(C)C[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.CCc1cc(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.COC[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.COC[C@H](NC(=O)c1cc(C)no1)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(C)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 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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QYIOWMPDPCYGOZ-MAGHZGSISA-N. The full InChI is InChI=1S/C35H50N4O6.C31H43N3O6.C30H41N3O6.2C29H39N3O6/c1-23(2)17-28(36-34(43)30-21-27(45-38-30)22-39-13-15-44-16-14-39)31(40)20-26(19-25-9-7-6-8-10-25)33(42)37-29(18-24(3)4)32(41)35(5)11-12-35;1-19(2)14-23(28(36)31(5)12-13-31)32-29(37)22(15-21-10-8-7-9-11-21)16-26(35)25(18-39-6)33-30(38)24-17-27(20(3)4)40-34-24;1-6-22-17-24(33-39-22)29(37)32-25(18-38-5)26(34)16-21(15-20-10-8-7-9-11-20)28(36)31-23(14-19(2)3)27(35)30(4)12-13-30;1-18(2)13-22(26(34)29(4)11-12-29)30-27(35)21(15-20-9-7-6-8-10-20)16-24(33)23(17-37-5)31-28(36)25-14-19(3)32-38-25;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/h6-10,21,23-24,26,28-29H,11-20,22H2,1-5H3,(H,36,43)(H,37,42);7-11,17,19-20,22-23,25H,12-16,18H2,1-6H3,(H,32,37)(H,33,38);7-11,17,19,21,23,25H,6,12-16,18H2,1-5H3,(H,31,36)(H,32,37);6-10,14,18,21-23H,11-13,15-17H2,1-5H3,(H,30,35)(H,31,36);6-10,14,18,21-22,24H,11-13,15-17H2,1-5H3,(H,30,35)(H,31,36)/t26-,28+,29+;22-,23+,25+;21-,23+,25+;21-,22+,23+;21-,22+,24+/m11111/s1.
What are the key properties of 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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 2767.47 g/mol, XLogP of 19.22, 79 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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-ethyl-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]-3-methyl-1,2-oxazole-5-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-methyl-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-propan-2-yl-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-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160553204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).