tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate

C246H348N12O42 — CID 158173451

IUPACtert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate
SMILESCC(C)C[C@H](NC(=O)C(CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@]1(C)CO1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(C)CO1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.CCC(C)[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)[C@@]1(C)CO1.CCC(C)[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/6C41H58N2O7/c4*1-27(2)21-33(42-38(47)31(25-36(45)50-40(5,6)7)20-19-29-15-11-9-12-16-29)35(44)24-32(23-30-17-13-10-14-18-30)39(48)43-34(22-28(3)4)37(46)41(8)26-49-41;1-9-28(4)36(43-38(47)31(25-35(45)50-40(5,6)7)21-20-29-16-12-10-13-17-29)34(44)24-32(23-30-18-14-11-15-19-30)39(48)42-33(22-27(2)3)37(46)41(8)26-49-41;1-9-28(4)36(37(46)41(8)26-49-41)43-39(48)32(23-30-18-14-11-15-19-30)24-34(44)33(22-27(2)3)42-38(47)31(25-35(45)50-40(5,6)7)21-20-29-16-12-10-13-17-29/h4*9-18,27-28,31-34H,19-26H2,1-8H3,(H,42,47)(H,43,48);10-19,27-28,31-33,36H,9,20-26H2,1-8H3,(H,42,48)(H,43,47);10-19,27-28,31-33,36H,9,20-26H2,1-8H3,(H,42,47)(H,43,48)/t31?,32-,33+,34-,41+;31-,32+,33+,34+,41-;31-,32-,33+,34+,41+;31-,32-,33+,34+,41-;2*28?,31-,32-,33+,36+,41-/m111111/s1
InChIKeyFXSPQBLLYFYWKH-RPZMIYFRSA-N
MW4145.53 g/mol
LogP37.23
Rot. Bonds120

About tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate

tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate (PubChem CID 158173451) has the molecular formula C246H348N12O42 and a molecular weight of 4145.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate
PubChem CID158173451
Molecular FormulaC246H348N12O42
Molecular Weight4145.53 g/mol
Exact Mass4142.55
IUPAC Nametert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate
SMILESCC(C)C[C@H](NC(=O)C(CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@]1(C)CO1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(C)CO1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.CCC(C)[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)[C@@]1(C)CO1.CCC(C)[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
InChIInChI=1S/6C41H58N2O7/c4*1-27(2)21-33(42-38(47)31(25-36(45)50-40(5,6)7)20-19-29-15-11-9-12-16-29)35(44)24-32(23-30-17-13-10-14-18-30)39(48)43-34(22-28(3)4)37(46)41(8)26-49-41;1-9-28(4)36(43-38(47)31(25-35(45)50-40(5,6)7)21-20-29-16-12-10-13-17-29)34(44)24-32(23-30-18-14-11-15-19-30)39(48)42-33(22-27(2)3)37(46)41(8)26-49-41;1-9-28(4)36(37(46)41(8)26-49-41)43-39(48)32(23-30-18-14-11-15-19-30)24-34(44)33(22-27(2)3)42-38(47)31(25-35(45)50-40(5,6)7)21-20-29-16-12-10-13-17-29/h4*9-18,27-28,31-34H,19-26H2,1-8H3,(H,42,47)(H,43,48);10-19,27-28,31-33,36H,9,20-26H2,1-8H3,(H,42,48)(H,43,47);10-19,27-28,31-33,36H,9,20-26H2,1-8H3,(H,42,47)(H,43,48)/t31?,32-,33+,34-,41+;31-,32+,33+,34+,41-;31-,32-,33+,34+,41+;31-,32-,33+,34+,41-;2*28?,31-,32-,33+,36+,41-/m111111/s1
InChIKeyFXSPQBLLYFYWKH-RPZMIYFRSA-N
XLogP37.23
TPSA787.02 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds120
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004145.53
LogP ≤ 537.23
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,5S)-2-benzyl-5-[[(2R)-5-(dimethylamino)-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-7-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-oxooctanamide
CID 157392280
benzyl (2R,5S)-2-benzyl-6-methyl-5-[[(2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(2-phenylethyl)butanoyl]amino]-4-oxooctanoate
CID 158055446
(2-methyl-4-piperazin-1-ylphenyl) (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate
CID 157371224
benzyl N-[(3S,7R)-7-benzyl-3-methyl-8-[[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamate
CID 153095012
(2S)-4-methyl-2-[[(2R)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(2-phenylethyl)butanoyl]amino]pentanoic acid
CID 159219949
(2R,5S)-2-benzyl-5-[[(2S)-2-hydroxy-5-methylhex-5-enoyl]amino]-7-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-oxooctanamide
CID 159226270
N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-morpholin-4-yl-4-oxo-2-(2-phenylethyl)nonanamide
CID 158353688
tert-butyl N-[1-[[4-methyl-1-(2-methyloxiran-2-yl)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 123396131
tert-butyl N-[(2S)-1-[[4-methyl-1-[[1-[[5-methyl-1-(2-methyloxiran-2-yl)-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 156569293
(2R,5S)-5-acetamido-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide;(2R,5S)-5-amino-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-4-oxo-7-phenyl-2-(pyridin-4-ylmethyl)heptanamide
CID 158085711
(2S)-4-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-4-phenyl-2-(propanoylamino)butanoyl]amino]pentanamide
CID 121336088
(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-5-[(2-morpholin-4-ylacetyl)amino]-4-oxooctanamide
CID 148824348

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate?
The IUPAC name of tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate (CID 158173451) is tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate.
What is the SMILES notation for tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate?
The canonical SMILES for tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate is CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[C@]1(C)CO1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@]1(C)CO1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.CCC(C)[C@H](NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)[C@@]1(C)CO1.CCC(C)[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)OC(C)(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1.
What is the InChIKey of tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate?
The InChIKey is FXSPQBLLYFYWKH-RPZMIYFRSA-N. The full InChI is InChI=1S/6C41H58N2O7/c4*1-27(2)21-33(42-38(47)31(25-36(45)50-40(5,6)7)20-19-29-15-11-9-12-16-29)35(44)24-32(23-30-17-13-10-14-18-30)39(48)43-34(22-28(3)4)37(46)41(8)26-49-41;1-9-28(4)36(43-38(47)31(25-35(45)50-40(5,6)7)21-20-29-16-12-10-13-17-29)34(44)24-32(23-30-18-14-11-15-19-30)39(48)42-33(22-27(2)3)37(46)41(8)26-49-41;1-9-28(4)36(37(46)41(8)26-49-41)43-39(48)32(23-30-18-14-11-15-19-30)24-34(44)33(22-27(2)3)42-38(47)31(25-35(45)50-40(5,6)7)21-20-29-16-12-10-13-17-29/h4*9-18,27-28,31-34H,19-26H2,1-8H3,(H,42,47)(H,43,48);10-19,27-28,31-33,36H,9,20-26H2,1-8H3,(H,42,48)(H,43,47);10-19,27-28,31-33,36H,9,20-26H2,1-8H3,(H,42,47)(H,43,48)/t31?,32-,33+,34-,41+;31-,32+,33+,34+,41-;31-,32-,33+,34+,41+;31-,32-,33+,34+,41-;2*28?,31-,32-,33+,36+,41-/m111111/s1.
What are the key properties of tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate?
tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate has a molecular weight of 4145.53 g/mol, XLogP of 37.23, 120 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-3-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-2-methyl-8-[[(2R)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7S)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate;tert-butyl (3R)-3-[[(4S,7R)-7-benzyl-3-methyl-8-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]carbamoyl]-5-phenylpentanoate is sourced from PubChem (CID 158173451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).