(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide

C73H134N14O11 — CID 10920375

IUPAC(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide
SMILESCC(C)C[C@H](CC(=O)N[C@@H](CC(=O)N[C@H](CCCCN)CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@H](CCCCN)CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@H](CCCCN)CC(N)=O)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)NC(=O)C[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C73H134N14O11/c1-46(2)29-57(82-65(90)36-53(77)35-52-22-24-63(88)25-23-52)43-71(96)86-59(31-48(5)6)41-69(94)80-55(20-14-17-27-75)38-67(92)84-62(34-51(11)12)45-73(98)87-60(32-49(7)8)42-70(95)81-56(21-15-18-28-76)39-66(91)83-61(33-50(9)10)44-72(97)85-58(30-47(3)4)40-68(93)79-54(37-64(78)89)19-13-16-26-74/h22-25,46-51,53-62,88H,13-21,26-45,74-77H2,1-12H3,(H2,78,89)(H,79,93)(H,80,94)(H,81,95)(H,82,90)(H,83,91)(H,84,92)(H,85,97)(H,86,96)(H,87,98)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1
InChIKeyKPOBPNAIRQBGAU-YRWYDWDGSA-N
MW1383.96 g/mol
LogP5.68
Rot. Bonds55

About (3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide

(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide (PubChem CID 10920375) has the molecular formula C73H134N14O11 and a molecular weight of 1383.96 g/mol. Its IUPAC name is (3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide.

Molecular Properties

Compound Name(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide
PubChem CID10920375
Molecular FormulaC73H134N14O11
Molecular Weight1383.96 g/mol
Exact Mass1383.04
IUPAC Name(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide
SMILESCC(C)C[C@H](CC(=O)N[C@@H](CC(=O)N[C@H](CCCCN)CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@H](CCCCN)CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@H](CCCCN)CC(N)=O)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)NC(=O)C[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C73H134N14O11/c1-46(2)29-57(82-65(90)36-53(77)35-52-22-24-63(88)25-23-52)43-71(96)86-59(31-48(5)6)41-69(94)80-55(20-14-17-27-75)38-67(92)84-62(34-51(11)12)45-73(98)87-60(32-49(7)8)42-70(95)81-56(21-15-18-28-76)39-66(91)83-61(33-50(9)10)44-72(97)85-58(30-47(3)4)40-68(93)79-54(37-64(78)89)19-13-16-26-74/h22-25,46-51,53-62,88H,13-21,26-45,74-77H2,1-12H3,(H2,78,89)(H,79,93)(H,80,94)(H,81,95)(H,82,90)(H,83,91)(H,84,92)(H,85,97)(H,86,96)(H,87,98)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1
InChIKeyKPOBPNAIRQBGAU-YRWYDWDGSA-N
XLogP5.68
TPSA429.30 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds55
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001383.96
LogP ≤ 55.68
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze (3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide 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

2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 22656685
(3R)-3-[[(3S)-6-amino-3-[[(3R)-3-[[(3S)-3,7-diaminoheptanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-5-[[(3R)-1-[[(2R)-4-[[(2S)-1-carboxy-3-(4-hydroxyphenyl)propan-2-yl]amino]-1-hydroxy-4-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-3-yl]amino]-5-oxopentanoic acid
CID 56957047
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 10168624
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 10170013
(2S)-2,6-diamino-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide
CID 10159199
2-[[2-[[5-amino-2-(2,6-diaminohexanoylamino)-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18304905
5-amino-2-[[2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 19954580
2-[[6-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18298585
2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18488912
4-amino-2-[[2-[[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid
CID 18749849
(3S)-3-amino-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-6-(methylamino)hexanamide
CID 118085271
(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 11455650

Frequently Asked Questions

What is the IUPAC name of (3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide?
The IUPAC name of (3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide (CID 10920375) is (3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide.
What is the SMILES notation for (3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide?
The canonical SMILES for (3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide is CC(C)C[C@H](CC(=O)N[C@@H](CC(=O)N[C@H](CCCCN)CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@H](CCCCN)CC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@H](CCCCN)CC(N)=O)CC(C)C)CC(C)C)CC(C)C)CC(C)C)CC(C)C)NC(=O)C[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide?
The InChIKey is KPOBPNAIRQBGAU-YRWYDWDGSA-N. The full InChI is InChI=1S/C73H134N14O11/c1-46(2)29-57(82-65(90)36-53(77)35-52-22-24-63(88)25-23-52)43-71(96)86-59(31-48(5)6)41-69(94)80-55(20-14-17-27-75)38-67(92)84-62(34-51(11)12)45-73(98)87-60(32-49(7)8)42-70(95)81-56(21-15-18-28-76)39-66(91)83-61(33-50(9)10)44-72(97)85-58(30-47(3)4)40-68(93)79-54(37-64(78)89)19-13-16-26-74/h22-25,46-51,53-62,88H,13-21,26-45,74-77H2,1-12H3,(H2,78,89)(H,79,93)(H,80,94)(H,81,95)(H,82,90)(H,83,91)(H,84,92)(H,85,97)(H,86,96)(H,87,98)/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1.
What are the key properties of (3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide?
(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide has a molecular weight of 1383.96 g/mol, XLogP of 5.68, 55 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-7-amino-3-[[(3R)-3-[[(3R)-3-[[(3R)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanoyl]amino]-5-methylhexanoyl]amino]-5-methylhexanoyl]amino]heptanamide is sourced from PubChem (CID 10920375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).