methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate

C24H39N5O10 — CID 58060015

IUPACmethyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate
SMILESCCCC(=O)NCC(=O)N(CC(=O)NCCC(=O)CN(CC(=O)OC)C(=O)CCC(=O)CNC)CC(=O)OC
InChIInChI=1S/C24H39N5O10/c1-5-6-19(32)27-12-22(35)29(16-24(37)39-4)14-20(33)26-10-9-18(31)13-28(15-23(36)38-3)21(34)8-7-17(30)11-25-2/h25H,5-16H2,1-4H3,(H,26,33)(H,27,32)
InChIKeyOBSDWZHDLXNLGT-UHFFFAOYSA-N
MW557.60 g/mol
LogP-2.45
Rot. Bonds20

About methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate

methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate (PubChem CID 58060015) has the molecular formula C24H39N5O10 and a molecular weight of 557.60 g/mol. Its IUPAC name is methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate
PubChem CID58060015
Molecular FormulaC24H39N5O10
Molecular Weight557.60 g/mol
Exact Mass557.27
IUPAC Namemethyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate
SMILESCCCC(=O)NCC(=O)N(CC(=O)NCCC(=O)CN(CC(=O)OC)C(=O)CCC(=O)CNC)CC(=O)OC
InChIInChI=1S/C24H39N5O10/c1-5-6-19(32)27-12-22(35)29(16-24(37)39-4)14-20(33)26-10-9-18(31)13-28(15-23(36)38-3)21(34)8-7-17(30)11-25-2/h25H,5-16H2,1-4H3,(H,26,33)(H,27,32)
InChIKeyOBSDWZHDLXNLGT-UHFFFAOYSA-N
XLogP-2.45
TPSA197.59 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.60
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[2,5-dioxo-5-(2-oxopentylamino)pentyl]-[2-[[5-[(2-methoxy-2-oxoethyl)-[2-(3,3,3-trifluoropropanoylamino)acetyl]amino]-4-oxopentanoyl]amino]acetyl]amino]acetate
CID 157351819
methyl 2-[[5-[[5-[4-[[5-[[2-[[5-[[2-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]-4-oxopentanoyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]-4-oxopentanoyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]-4-oxopentanoyl]amino]-3-oxobutyl]-9-[[5-[(2-methoxy-2-oxoethyl)-[2-(propanoylamino)acetyl]amino]-4-oxopentanoyl]amino]-5-[4-[[5-[(2-methoxy-2-oxoethyl)-[2-(propanoylamino)acetyl]amino]-4-oxopentanoyl]amino]-3-oxobutyl]-2,8-dioxononyl]amino]-2,5-dioxopentyl]-[2-(propanoylamino)acetyl]amino]acetate
CID 158561658
methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate
CID 60521395
methyl 2-[[5-[[2-[[2-[[(5S)-5-formamido-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-4-oxopentanoyl]-[5-[[2-[(2-methoxy-2-oxoethyl)-[2-[[5-[(2-methoxy-2-oxoethyl)-[4-oxo-5-(6-oxoheptanoylamino)pentanoyl]amino]-4-oxopentanoyl]amino]acetyl]amino]acetyl]amino]-2-oxopentyl]amino]acetate
CID 160667281
2-amino-N-(2-oxopentyl)acetamide;methyl 2-[(5-amino-4-oxopentanoyl)-[2,5-dioxo-5-(2-oxopentylamino)pentyl]amino]acetate;methyl 2-[[2,5-dioxo-5-(2-oxopentylamino)pentyl]-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoyl]amino]acetate;methyl 2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoyl]amino]acetate
CID 158097010
methyl 2-[[2-[[5-[[2-[[5-[[2-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]-4-oxopentanoyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]-4-oxopentanoyl]amino]acetyl]-(2-methoxy-2-oxoethyl)amino]-4-oxopentanoyl]amino]acetyl]-[5-[[2,8-dioxo-5,5-bis[3-oxo-4-(propanoylamino)butyl]-9-(propanoylamino)nonyl]amino]-2,5-dioxopentyl]amino]acetate;tris(methyl 2-[[2-[[5-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methoxy-2-oxoethyl)amino]-4-oxopentanoyl]amino]acetyl]-(2-oxoethyl)amino]acetate)
CID 160947987
tris(methyl 2-[[5-[[2-[(5-amino-4-oxopentanoyl)-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-4-oxopentanoyl]-(2-oxoethyl)amino]acetate);methyl 2-[[5-[2-[2-[(5-amino-4-oxopentanoyl)-(2-methoxy-2-oxoethyl)amino]acetyl]-2-[5-[(2-methoxy-2-oxoethyl)-(2-oxoethyl)amino]-2,5-dioxopentyl]hydrazinyl]-4-oxopentanoyl]-(2-oxoethyl)amino]acetate
CID 123762757
N-(2,9-dioxoundecyl)-N'-methyl-N-[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]-4-oxononanediamide;N-[2-(methylamino)-2-oxoethyl]-N-(2-oxobutyl)butanamide;N'-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-N-(2-oxobutyl)nonanediamide
CID 161119382
2-(butanoylamino)ethylphosphonic acid
CID 88586980
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(pentan-3-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]acetate
CID 145085652
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
acetamide;N,N-bis[2-(butylamino)-2-oxoethyl]butanamide
CID 143730813

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate (CID 58060015) is methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate is CCCC(=O)NCC(=O)N(CC(=O)NCCC(=O)CN(CC(=O)OC)C(=O)CCC(=O)CNC)CC(=O)OC.
What is the InChIKey of methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate?
The InChIKey is OBSDWZHDLXNLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O10/c1-5-6-19(32)27-12-22(35)29(16-24(37)39-4)14-20(33)26-10-9-18(31)13-28(15-23(36)38-3)21(34)8-7-17(30)11-25-2/h25H,5-16H2,1-4H3,(H,26,33)(H,27,32).
What are the key properties of methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate?
methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate has a molecular weight of 557.60 g/mol, XLogP of -2.45, 20 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[[2-[[2-(butanoylamino)acetyl]-(2-methoxy-2-oxoethyl)amino]acetyl]amino]-2-oxobutyl]-[5-(methylamino)-4-oxopentanoyl]amino]acetate is sourced from PubChem (CID 58060015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).