1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine

C74H129N13O15 — CID 167537804

IUPAC1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine
SMILESCC(C)C(CC(=O)C(C(C)C)N(C)C)C(=O)N(C)C(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCCCCC(=O)ON1C(=O)CCC1=O)C(C)C.CN.CNC(=O)CCCCNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(C(C)C)N(C)C(=O)C(CC(=O)C(C(C)C)N(C)C)C(C)C
InChIInChI=1S/C38H62N6O9.C35H62N6O6.CH5N/c1-23(2)26(22-29(45)33(24(3)4)40(7)8)36(50)41(9)34(25(5)6)38(52)43-21-13-15-28(43)37(51)42-20-12-14-27(42)35(49)39-19-11-10-16-32(48)53-44-30(46)17-18-31(44)47;1-22(2)25(21-28(42)30(23(3)4)38(8)9)33(45)39(10)31(24(5)6)35(47)41-20-14-16-27(41)34(46)40-19-13-15-26(40)32(44)37-18-12-11-17-29(43)36-7;1-2/h23-28,33-34H,10-22H2,1-9H3,(H,39,49);22-27,30-31H,11-21H2,1-10H3,(H,36,43)(H,37,44);2H2,1H3
InChIKeyATVSVCXPNCIDRO-UHFFFAOYSA-N
MW1440.92 g/mol
LogP4.04
Rot. Bonds35

About 1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine

1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine (PubChem CID 167537804) has the molecular formula C74H129N13O15 and a molecular weight of 1440.92 g/mol. Its IUPAC name is 1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine.

Molecular Properties

Compound Name1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine
PubChem CID167537804
Molecular FormulaC74H129N13O15
Molecular Weight1440.92 g/mol
Exact Mass1439.97
IUPAC Name1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine
SMILESCC(C)C(CC(=O)C(C(C)C)N(C)C)C(=O)N(C)C(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCCCCC(=O)ON1C(=O)CCC1=O)C(C)C.CN.CNC(=O)CCCCNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(C(C)C)N(C)C(=O)C(CC(=O)C(C(C)C)N(C)C)C(C)C
InChIInChI=1S/C38H62N6O9.C35H62N6O6.CH5N/c1-23(2)26(22-29(45)33(24(3)4)40(7)8)36(50)41(9)34(25(5)6)38(52)43-21-13-15-28(43)37(51)42-20-12-14-27(42)35(49)39-19-11-10-16-32(48)53-44-30(46)17-18-31(44)47;1-22(2)25(21-28(42)30(23(3)4)38(8)9)33(45)39(10)31(24(5)6)35(47)41-20-14-16-27(41)34(46)40-19-13-15-26(40)32(44)37-18-12-11-17-29(43)36-7;1-2/h23-28,33-34H,10-22H2,1-9H3,(H,39,49);22-27,30-31H,11-21H2,1-10H3,(H,36,43)(H,37,44);2H2,1H3
InChIKeyATVSVCXPNCIDRO-UHFFFAOYSA-N
XLogP4.04
TPSA339.48 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds35
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001440.92
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine with MolForge

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Related Compounds

1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 4-[[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]methyl]benzoate;(2,5-dioxopyrrolidin-1-yl) 5-[[4-[[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]methyl]benzoyl]amino]pentanoate;ethane;methanamine
CID 161210627
(2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S)-4-[[(2S,5S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanoate
CID 158504312
(2,5-dioxopyrrolidin-1-yl) 3-[3-[(1-(1,2,3-13C3)propan-2-ylpyrrolidine-2-carbonyl)(15N)amino](1,2,3-13C3)propanoyl(15N)amino](113C)propanoate
CID 129148295
benzyl (2R)-2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2S)-2-(benzylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 131722144
(2,5-dioxopyrrolidin-1-yl) 3-[3-[(1-butan-2-ylpyrrolidine-2-carbonyl)amino]propanoylamino]propanoate
CID 118576572
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-(2,2-dimethyl(113C)propyl)(115N)azolidine-2-carbonyl]amino](1,2,3-13C3)propanoyl(15N)amino](1,2,3-13C3)propanoate
CID 129148317
(2,5-dioxopyrrolidin-1-yl) 3-[3-[[1-[2,2-di((113C)methyl)(1,2,3-13C3)propyl](115N)azolidine-2-carbonyl]amino](113C)propanoyl(15N)amino](113C)propanoate
CID 129148300
(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(2S)-1-oxo-1-[[5-oxo-5-(pentylamino)pentyl]amino]-3-phenylpropan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide;(2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanoate;methanamine
CID 167672034
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxopropan-2-yl]amino]-6-oxohexanoate
CID 129055813
(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 141107883
(2,5-dioxopyrrolidin-1-yl) 8-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-5-methyl-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-8-oxooctanoate
CID 123348093
(2,5-dioxopyrrolidin-1-yl) 8-[8-[3-[3-[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[8-[[8-(2,5-dioxopyrrolidin-1-yl)oxy-8-oxooctyl]amino]-8-oxooctyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]octanoylamino]octanoate
CID 118440512

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine?
The IUPAC name of 1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine (CID 167537804) is 1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine.
What is the SMILES notation for 1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine?
The canonical SMILES for 1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine is CC(C)C(CC(=O)C(C(C)C)N(C)C)C(=O)N(C)C(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCCCCC(=O)ON1C(=O)CCC1=O)C(C)C.CN.CNC(=O)CCCCNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(C(C)C)N(C)C(=O)C(CC(=O)C(C(C)C)N(C)C)C(C)C.
What is the InChIKey of 1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine?
The InChIKey is ATVSVCXPNCIDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H62N6O9.C35H62N6O6.CH5N/c1-23(2)26(22-29(45)33(24(3)4)40(7)8)36(50)41(9)34(25(5)6)38(52)43-21-13-15-28(43)37(51)42-20-12-14-27(42)35(49)39-19-11-10-16-32(48)53-44-30(46)17-18-31(44)47;1-22(2)25(21-28(42)30(23(3)4)38(8)9)33(45)39(10)31(24(5)6)35(47)41-20-14-16-27(41)34(46)40-19-13-15-26(40)32(44)37-18-12-11-17-29(43)36-7;1-2/h23-28,33-34H,10-22H2,1-9H3,(H,39,49);22-27,30-31H,11-21H2,1-10H3,(H,36,43)(H,37,44);2H2,1H3.
What are the key properties of 1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine?
1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine has a molecular weight of 1440.92 g/mol, XLogP of 4.04, 35 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[5-(methylamino)-5-oxopentyl]pyrrolidine-2-carboxamide;(2,5-dioxopyrrolidin-1-yl) 5-[[1-[1-[2-[[5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoate;methanamine is sourced from PubChem (CID 167537804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).