N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide

C23H38N8O7 — CID 175618363

IUPACN-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESC=C(NCC(=O)NCC(=O)NCC(=O)NC(C)C(C)=O)C(CCC(N)=O)NC(=O)CNC(=O)C1CCCN1
InChIInChI=1S/C23H38N8O7/c1-13(15(3)32)30-21(36)11-28-20(35)10-27-19(34)9-26-14(2)16(6-7-18(24)33)31-22(37)12-29-23(38)17-5-4-8-25-17/h13,16-17,25-26H,2,4-12H2,1,3H3,(H2,24,33)(H,27,34)(H,28,35)(H,29,38)(H,30,36)(H,31,37)
InChIKeyXTMRVBBWBXDHJN-UHFFFAOYSA-N
MW538.61 g/mol
LogP-3.97
Rot. Bonds17

About N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide

N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 175618363) has the molecular formula C23H38N8O7 and a molecular weight of 538.61 g/mol. Its IUPAC name is N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID175618363
Molecular FormulaC23H38N8O7
Molecular Weight538.61 g/mol
Exact Mass538.29
IUPAC NameN-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESC=C(NCC(=O)NCC(=O)NCC(=O)NC(C)C(C)=O)C(CCC(N)=O)NC(=O)CNC(=O)C1CCCN1
InChIInChI=1S/C23H38N8O7/c1-13(15(3)32)30-21(36)11-28-20(35)10-27-19(34)9-26-14(2)16(6-7-18(24)33)31-22(37)12-29-23(38)17-5-4-8-25-17/h13,16-17,25-26H,2,4-12H2,1,3H3,(H2,24,33)(H,27,34)(H,28,35)(H,29,38)(H,30,36)(H,31,37)
InChIKeyXTMRVBBWBXDHJN-UHFFFAOYSA-N
XLogP-3.97
TPSA229.72 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 5-3.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide 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)-5-amino-2-[[(2S)-5-amino-2-[[2-[[(2S)-5-amino-5-oxo-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 71353098
(2S)-2-amino-N-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]acetyl]pentanediamide
CID 69007514
(2S,3R)-3-hydroxy-2-[[2-[[2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]butanoic acid
CID 175911155
(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 103796173
(2S)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanedioic acid
CID 51036487
N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 112703892
N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 18324145
2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetic acid
CID 52917433
(2S)-6-amino-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-5-oxo-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
CID 146616257
(2S,3R)-3-hydroxy-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoic acid
CID 145457476
(4S)-5-[[2-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxo-4-[[(2S)-1-[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 10210421
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide (CID 175618363) is N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide is C=C(NCC(=O)NCC(=O)NCC(=O)NC(C)C(C)=O)C(CCC(N)=O)NC(=O)CNC(=O)C1CCCN1.
What is the InChIKey of N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is XTMRVBBWBXDHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N8O7/c1-13(15(3)32)30-21(36)11-28-20(35)10-27-19(34)9-26-14(2)16(6-7-18(24)33)31-22(37)12-29-23(38)17-5-4-8-25-17/h13,16-17,25-26H,2,4-12H2,1,3H3,(H2,24,33)(H,27,34)(H,28,35)(H,29,38)(H,30,36)(H,31,37).
What are the key properties of N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide?
N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 538.61 g/mol, XLogP of -3.97, 17 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-amino-6-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-(3-oxobutan-2-ylamino)ethyl]amino]ethyl]amino]ethyl]amino]hex-1-en-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175618363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).