(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid

C44H77N13O14 — CID 10306894

IUPAC(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(=O)O
InChIInChI=1S/C44H77N13O14/c1-21(2)19-26(45)39(65)53-30(14-18-35(49)61)43(69)57(10)25(7)38(64)52-29(13-17-34(48)60)42(68)56(9)24(6)37(63)51-28(12-16-33(47)59)41(67)55(8)23(5)36(62)50-27(11-15-32(46)58)40(66)54-31(44(70)71)20-22(3)4/h21-31H,11-20,45H2,1-10H3,(H2,46,58)(H2,47,59)(H2,48,60)(H2,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,70,71)/t23-,24-,25-,26-,27-,28-,29-,30-,31-/m0/s1
InChIKeyJVJSBDFVQINXNT-NOFINNCCSA-N
MW1012.18 g/mol
LogP-4.48
Rot. Bonds33

About (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid

(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid (PubChem CID 10306894) has the molecular formula C44H77N13O14 and a molecular weight of 1012.18 g/mol. Its IUPAC name is (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
PubChem CID10306894
Molecular FormulaC44H77N13O14
Molecular Weight1012.18 g/mol
Exact Mass1011.57
IUPAC Name(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(=O)O
InChIInChI=1S/C44H77N13O14/c1-21(2)19-26(45)39(65)53-30(14-18-35(49)61)43(69)57(10)25(7)38(64)52-29(13-17-34(48)60)42(68)56(9)24(6)37(63)51-28(12-16-33(47)59)41(67)55(8)23(5)36(62)50-27(11-15-32(46)58)40(66)54-31(44(70)71)20-22(3)4/h21-31H,11-20,45H2,1-10H3,(H2,46,58)(H2,47,59)(H2,48,60)(H2,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,70,71)/t23-,24-,25-,26-,27-,28-,29-,30-,31-/m0/s1
InChIKeyJVJSBDFVQINXNT-NOFINNCCSA-N
XLogP-4.48
TPSA442.11 Ų
H-Bond Donors11
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001012.18
LogP ≤ 5-4.48
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1014

Analyze (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid 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

5-amino-2-[[5-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 22706541
5-amino-2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 22705034
(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoic acid
CID 10212691
2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
CID 22705043
2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid
CID 22704899
2-[[5-amino-2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 22654603
2-[[5-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 22656200
2-[[4-amino-2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid
CID 22654523
5-amino-2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
CID 18300638
2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 22704933
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 11227933
2-[[2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid
CID 22654583

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid (CID 10306894) is (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid?
The InChIKey is JVJSBDFVQINXNT-NOFINNCCSA-N. The full InChI is InChI=1S/C44H77N13O14/c1-21(2)19-26(45)39(65)53-30(14-18-35(49)61)43(69)57(10)25(7)38(64)52-29(13-17-34(48)60)42(68)56(9)24(6)37(63)51-28(12-16-33(47)59)41(67)55(8)23(5)36(62)50-27(11-15-32(46)58)40(66)54-31(44(70)71)20-22(3)4/h21-31H,11-20,45H2,1-10H3,(H2,46,58)(H2,47,59)(H2,48,60)(H2,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,65)(H,54,66)(H,70,71)/t23-,24-,25-,26-,27-,28-,29-,30-,31-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid?
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid has a molecular weight of 1012.18 g/mol, XLogP of -4.48, 33 rotatable bonds, 11 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]-methylamino]propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 10306894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).