azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

C74H106N8O11 — CID 162244898

IUPACazane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
SMILESC1CC1.C1CC1.C[C@H](CC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)CC(=O)O)C(=O)N1CCCCC1.C[C@H](CC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)CC(N)=O)C(=O)N1CCCCC1.N
InChIInChI=1S/C34H46N4O5.C34H45N3O6.2C3H6.H3N/c1-24(33(42)38-18-12-7-13-19-38)20-30(39)28(22-26-14-8-5-9-15-26)36(3)34(43)29(23-27-16-10-6-11-17-27)37(4)32(41)25(2)21-31(35)40;1-24(33(42)37-18-12-7-13-19-37)20-30(38)28(22-26-14-8-5-9-15-26)35(3)34(43)29(23-27-16-10-6-11-17-27)36(4)32(41)25(2)21-31(39)40;2*1-2-3-1;/h5-6,8-11,14-17,24-25,28-29H,7,12-13,18-23H2,1-4H3,(H2,35,40);5-6,8-11,14-17,24-25,28-29H,7,12-13,18-23H2,1-4H3,(H,39,40);2*1-3H2;1H3/t2*24-,25+,28+,29+;;;/m11.../s1
InChIKeyQHDMSSIZCSKYPW-SQBOAQEQSA-N
MW1283.71 g/mol
LogP9.59
Rot. Bonds28

About azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid

azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 162244898) has the molecular formula C74H106N8O11 and a molecular weight of 1283.71 g/mol. Its IUPAC name is azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Nameazane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
PubChem CID162244898
Molecular FormulaC74H106N8O11
Molecular Weight1283.71 g/mol
Exact Mass1282.80
IUPAC Nameazane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
SMILESC1CC1.C1CC1.C[C@H](CC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)CC(=O)O)C(=O)N1CCCCC1.C[C@H](CC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)CC(N)=O)C(=O)N1CCCCC1.N
InChIInChI=1S/C34H46N4O5.C34H45N3O6.2C3H6.H3N/c1-24(33(42)38-18-12-7-13-19-38)20-30(39)28(22-26-14-8-5-9-15-26)36(3)34(43)29(23-27-16-10-6-11-17-27)37(4)32(41)25(2)21-31(35)40;1-24(33(42)37-18-12-7-13-19-37)20-30(38)28(22-26-14-8-5-9-15-26)35(3)34(43)29(23-27-16-10-6-11-17-27)36(4)32(41)25(2)21-31(39)40;2*1-2-3-1;/h5-6,8-11,14-17,24-25,28-29H,7,12-13,18-23H2,1-4H3,(H2,35,40);5-6,8-11,14-17,24-25,28-29H,7,12-13,18-23H2,1-4H3,(H,39,40);2*1-3H2;1H3/t2*24-,25+,28+,29+;;;/m11.../s1
InChIKeyQHDMSSIZCSKYPW-SQBOAQEQSA-N
XLogP9.59
TPSA271.39 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001283.71
LogP ≤ 59.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid 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

(2S)-2-[[(2S)-2-[acetyl(methyl)amino]-3-phenylpropanoyl]-methylamino]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide;azane;ethane;ethylbenzene;formaldehyde;methanamine;2-methylbutane;bis(2-methylpropane);propan-2-ol
CID 159338407
(2S)-2-[[2-[acetyl(methyl)amino]-3-phenylpropanoyl]amino]-4-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 122466781
butyl (3S)-3-[[(2S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(2S)-2-[[(2S,3S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]-4-oxo-4-piperidin-1-ylbutanoate
CID 162703980
N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide
CID 169094211
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[methyl-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 175863468
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,5S,6S)-5-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]amino]-3-methylbutanoyl]-methylamino]acetyl]-methylamino]-6-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-4-oxooctanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-oxo-4-piperidin-1-ylbutanoic acid
CID 163825097
(3S)-4-oxo-3-(phenylmethoxycarbonylamino)-4-piperidin-1-ylbutanoic acid
CID 70003305
1-(azepan-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107019625
(3S)-3-amino-4-[[(1S)-1-carboxy-2-phenylethyl]-methylamino]-4-oxobutanoic acid
CID 22807550
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-4-methyl-2-(3-methylbutanoylamino)pentanoyl]amino]butanoyl]-methylamino]propanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-5-methyl-N-[(2S)-1-[[(2R)-1-(methylamino)-1,3-dioxo-3-piperidin-1-ylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 122467951
(2S)-2-[acetyl(methyl)amino]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide;azane;ethylbenzene;formaldehyde;methanamine;bis(2-methylbutane);bis(2-methylpropane);propan-2-ol
CID 162051730

Frequently Asked Questions

What is the IUPAC name of azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid (CID 162244898) is azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid is C1CC1.C1CC1.C[C@H](CC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)CC(=O)O)C(=O)N1CCCCC1.C[C@H](CC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@@H](C)CC(N)=O)C(=O)N1CCCCC1.N.
What is the InChIKey of azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is QHDMSSIZCSKYPW-SQBOAQEQSA-N. The full InChI is InChI=1S/C34H46N4O5.C34H45N3O6.2C3H6.H3N/c1-24(33(42)38-18-12-7-13-19-38)20-30(39)28(22-26-14-8-5-9-15-26)36(3)34(43)29(23-27-16-10-6-11-17-27)37(4)32(41)25(2)21-31(35)40;1-24(33(42)37-18-12-7-13-19-37)20-30(38)28(22-26-14-8-5-9-15-26)35(3)34(43)29(23-27-16-10-6-11-17-27)36(4)32(41)25(2)21-31(39)40;2*1-2-3-1;/h5-6,8-11,14-17,24-25,28-29H,7,12-13,18-23H2,1-4H3,(H2,35,40);5-6,8-11,14-17,24-25,28-29H,7,12-13,18-23H2,1-4H3,(H,39,40);2*1-3H2;1H3/t2*24-,25+,28+,29+;;;/m11.../s1.
What are the key properties of azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid?
azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 1283.71 g/mol, XLogP of 9.59, 28 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 162244898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).