(2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide

C113H186N20O30 — CID 160950778

IUPAC(2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide
SMILESCC(=O)N[C@H](C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(CO)c(OCC(=O)CCCCOCCOCCOCCCN)c1)C(C)C.CC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)c(OCC(=O)CCCCN)c1)C(C)C.CC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)c(OCCCCCCN)c1)C(C)C.CC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)c(OCCOCCN)c1)C(C)C
InChIInChI=1S/C34H57N5O10.C27H43N5O7.C27H45N5O6.C25H41N5O7/c1-24(2)32(38-25(3)41)30(43)20-26(8-6-13-37-34(36)45)33(44)39-28-11-10-27(22-40)31(21-28)49-23-29(42)9-4-5-14-46-16-18-48-19-17-47-15-7-12-35;1-17(2)25(31-18(3)34)23(36)13-19(7-6-12-30-27(29)38)26(37)32-21-10-9-20(15-33)24(14-21)39-16-22(35)8-4-5-11-28;1-18(2)25(31-19(3)34)23(35)15-20(9-8-13-30-27(29)37)26(36)32-22-11-10-21(17-33)24(16-22)38-14-7-5-4-6-12-28;1-16(2)23(29-17(3)32)21(33)13-18(5-4-9-28-25(27)35)24(34)30-20-7-6-19(15-31)22(14-20)37-12-11-36-10-8-26/h10-11,21,24,26,32,40H,4-9,12-20,22-23,35H2,1-3H3,(H,38,41)(H,39,44)(H3,36,37,45);9-10,14,17,19,25,33H,4-8,11-13,15-16,28H2,1-3H3,(H,31,34)(H,32,37)(H3,29,30,38);10-11,16,18,20,25,33H,4-9,12-15,17,28H2,1-3H3,(H,31,34)(H,32,36)(H3,29,30,37);6-7,14,16,18,23,31H,4-5,8-13,15,26H2,1-3H3,(H,29,32)(H,30,34)(H3,27,28,35)/t26?,32-;19-,25+;20-,25+;18-,23+/m0111/s1
InChIKeySVSPRZOQPSRUCV-AZKCKWOMSA-N
MW2304.84 g/mol
LogP6.05
Rot. Bonds85

About (2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide

(2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide (PubChem CID 160950778) has the molecular formula C113H186N20O30 and a molecular weight of 2304.84 g/mol. Its IUPAC name is (2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide.

Molecular Properties

Compound Name(2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide
PubChem CID160950778
Molecular FormulaC113H186N20O30
Molecular Weight2304.84 g/mol
Exact Mass2303.36
IUPAC Name(2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide
SMILESCC(=O)N[C@H](C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(CO)c(OCC(=O)CCCCOCCOCCOCCCN)c1)C(C)C.CC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)c(OCC(=O)CCCCN)c1)C(C)C.CC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)c(OCCCCCCN)c1)C(C)C.CC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)c(OCCOCCN)c1)C(C)C
InChIInChI=1S/C34H57N5O10.C27H43N5O7.C27H45N5O6.C25H41N5O7/c1-24(2)32(38-25(3)41)30(43)20-26(8-6-13-37-34(36)45)33(44)39-28-11-10-27(22-40)31(21-28)49-23-29(42)9-4-5-14-46-16-18-48-19-17-47-15-7-12-35;1-17(2)25(31-18(3)34)23(36)13-19(7-6-12-30-27(29)38)26(37)32-21-10-9-20(15-33)24(14-21)39-16-22(35)8-4-5-11-28;1-18(2)25(31-19(3)34)23(35)15-20(9-8-13-30-27(29)37)26(36)32-22-11-10-21(17-33)24(16-22)38-14-7-5-4-6-12-28;1-16(2)23(29-17(3)32)21(33)13-18(5-4-9-28-25(27)35)24(34)30-20-7-6-19(15-31)22(14-20)37-12-11-36-10-8-26/h10-11,21,24,26,32,40H,4-9,12-20,22-23,35H2,1-3H3,(H,38,41)(H,39,44)(H3,36,37,45);9-10,14,17,19,25,33H,4-8,11-13,15-16,28H2,1-3H3,(H,31,34)(H,32,37)(H3,29,30,38);10-11,16,18,20,25,33H,4-9,12-15,17,28H2,1-3H3,(H,31,34)(H,32,36)(H3,29,30,37);6-7,14,16,18,23,31H,4-5,8-13,15,26H2,1-3H3,(H,29,32)(H,30,34)(H3,27,28,35)/t26?,32-;19-,25+;20-,25+;18-,23+/m0111/s1
InChIKeySVSPRZOQPSRUCV-AZKCKWOMSA-N
XLogP6.05
TPSA814.54 Ų
H-Bond Donors24
H-Bond Acceptors34
Rotatable Bonds85
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002304.84
LogP ≤ 56.05
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze (2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide 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)-5-acetamido-2-[3-(carbamoylamino)propyl]-N-[3-[10-(2,5-dioxopyrrol-1-yl)-2,8-dioxodecoxy]-4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-2-[3-(carbamoylamino)propyl]-N-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]-4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-2-[3-(carbamoylamino)propyl]-N-[3-[6-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide
CID 160557655
(2R,5S)-5-acetamido-2-[3-(carbamoylamino)propyl]-N-[3-[10-(2,5-dioxopyrrol-1-yl)-2,8-dioxodecoxy]-4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide
CID 160557657
(2R,5S)-5-acetamido-2-[3-(carbamoylamino)propyl]-N-[3-[6-(2,5-dioxopyrrol-1-yl)hexoxy]-4-(hydroxymethyl)phenyl]-6-methyl-4-oxoheptanamide
CID 160656758
(2R,5S)-5-acetamido-2-[3-(carbamoylamino)propyl]-N-[3-[10-(2,5-dioxopyrrol-1-yl)-2,8-dioxodecoxy]-4-(methoxymethyl)phenyl]-6-methyl-4-oxoheptanamide;methyl N-[2-[[4-[[(2R,5S)-5-acetamido-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]-2-[10-(2,5-dioxopyrrol-1-yl)-2,8-dioxodecoxy]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;methyl N-[2-[[4-[[(2R,5S)-5-acetamido-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]-2-[6-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]-2-oxohexoxy]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate
CID 159908521
(2R,5S)-2-[3-(carbamoylamino)propyl]-N-[4-(hydroxymethyl)phenyl]-6-methyl-4-oxo-5-[3-(2-propoxyethoxy)propanoylamino]heptanamide
CID 163777582
[(1R)-1-acetamido-2-[1-[10-[5-[[(2R,5S)-5-acetamido-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]-2-(methylcarbamoyloxymethyl)phenoxy]-3,9-dioxodecyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethyl] formate
CID 158764510
(2R)-5-acetamido-2-[3-(carbamoylamino)propyl]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide
CID 158648208
[4-[[(2R,5S)-5-acetamido-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]-2-[2-[2-[3-[3-[(2R)-2-acetamido-2-hydroxyethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethoxy]ethoxy]phenyl]methyl N-methylcarbamate
CID 158764509
tert-butyl N-[(3S,6R)-9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamate
CID 157104544
[4-[[(2R)-5-[(5-amino-4-oxopentanoyl)amino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-methylcarbamate
CID 161364493
(2R,5S)-2-[3-(carbamoylamino)propyl]-5-[3-(4,4-dimethylpentoxy)propanoylamino]-N-(4-ethylphenyl)-6-methyl-4-oxoheptanamide
CID 163499254
benzyl N-[9-(carbamoylamino)-6-[[4-(hydroxymethyl)phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamate
CID 158750770

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide?
The IUPAC name of (2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide (CID 160950778) is (2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide.
What is the SMILES notation for (2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide?
The canonical SMILES for (2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide is CC(=O)N[C@H](C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(CO)c(OCC(=O)CCCCOCCOCCOCCCN)c1)C(C)C.CC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)c(OCC(=O)CCCCN)c1)C(C)C.CC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)c(OCCCCCCN)c1)C(C)C.CC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)c(OCCOCCN)c1)C(C)C.
What is the InChIKey of (2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide?
The InChIKey is SVSPRZOQPSRUCV-AZKCKWOMSA-N. The full InChI is InChI=1S/C34H57N5O10.C27H43N5O7.C27H45N5O6.C25H41N5O7/c1-24(2)32(38-25(3)41)30(43)20-26(8-6-13-37-34(36)45)33(44)39-28-11-10-27(22-40)31(21-28)49-23-29(42)9-4-5-14-46-16-18-48-19-17-47-15-7-12-35;1-17(2)25(31-18(3)34)23(36)13-19(7-6-12-30-27(29)38)26(37)32-21-10-9-20(15-33)24(14-21)39-16-22(35)8-4-5-11-28;1-18(2)25(31-19(3)34)23(35)15-20(9-8-13-30-27(29)37)26(36)32-22-11-10-21(17-33)24(16-22)38-14-7-5-4-6-12-28;1-16(2)23(29-17(3)32)21(33)13-18(5-4-9-28-25(27)35)24(34)30-20-7-6-19(15-31)22(14-20)37-12-11-36-10-8-26/h10-11,21,24,26,32,40H,4-9,12-20,22-23,35H2,1-3H3,(H,38,41)(H,39,44)(H3,36,37,45);9-10,14,17,19,25,33H,4-8,11-13,15-16,28H2,1-3H3,(H,31,34)(H,32,37)(H3,29,30,38);10-11,16,18,20,25,33H,4-9,12-15,17,28H2,1-3H3,(H,31,34)(H,32,36)(H3,29,30,37);6-7,14,16,18,23,31H,4-5,8-13,15,26H2,1-3H3,(H,29,32)(H,30,34)(H3,27,28,35)/t26?,32-;19-,25+;20-,25+;18-,23+/m0111/s1.
What are the key properties of (2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide?
(2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide has a molecular weight of 2304.84 g/mol, XLogP of 6.05, 85 rotatable bonds, 24 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-acetamido-N-[3-[2-(2-aminoethoxy)ethoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-aminohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-(6-amino-2-oxohexoxy)-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-5-acetamido-N-[3-[6-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]-2-oxohexoxy]-4-(hydroxymethyl)phenyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide is sourced from PubChem (CID 160950778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).