(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide

C18H37N11O4 — CID 164513510

IUPAC(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
SMILESC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C18H37N11O4/c1-9(19)14(31)28-12(6-4-8-26-18(23)24)16(33)29-11(5-3-7-25-17(21)22)15(32)27-10(2)13(20)30/h9-12H,3-8,19H2,1-2H3,(H2,20,30)(H,27,32)(H,28,31)(H,29,33)(H4,21,22,25)(H4,23,24,26)/t9-,10-,11-,12-/m0/s1
InChIKeyZIPSYLBLPGQRDL-BJDJZHNGSA-N
MW471.57 g/mol
LogP-4.60
Rot. Bonds15

About (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide

(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide (PubChem CID 164513510) has the molecular formula C18H37N11O4 and a molecular weight of 471.57 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
PubChem CID164513510
Molecular FormulaC18H37N11O4
Molecular Weight471.57 g/mol
Exact Mass471.30
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
SMILESC[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C18H37N11O4/c1-9(19)14(31)28-12(6-4-8-26-18(23)24)16(33)29-11(5-3-7-25-17(21)22)15(32)27-10(2)13(20)30/h9-12H,3-8,19H2,1-2H3,(H2,20,30)(H,27,32)(H,28,31)(H,29,33)(H4,21,22,25)(H4,23,24,26)/t9-,10-,11-,12-/m0/s1
InChIKeyZIPSYLBLPGQRDL-BJDJZHNGSA-N
XLogP-4.60
TPSA285.21 Ų
H-Bond Donors9
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.57
LogP ≤ 5-4.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide 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-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid
CID 18238550
2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid
CID 18233395
2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]acetic acid
CID 11270734
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoic acid
CID 25123282
2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid
CID 18238949
4-(2-aminopropanoylamino)-5-[[1-[[1-carboxy-4-(diaminomethylideneamino)butyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18234574
(2R)-2-amino-N-[(2R)-1-[[(2S)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
CID 174965044
2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18232878
2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18233396
(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-5-oxopentanoic acid
CID 145453572
5-amino-2-[[5-amino-2-[[2-(2-aminopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 18233102
2-[[2-[[2-(2-aminopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18233081

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide?
The IUPAC name of (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide (CID 164513510) is (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide?
The canonical SMILES for (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide is C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide?
The InChIKey is ZIPSYLBLPGQRDL-BJDJZHNGSA-N. The full InChI is InChI=1S/C18H37N11O4/c1-9(19)14(31)28-12(6-4-8-26-18(23)24)16(33)29-11(5-3-7-25-17(21)22)15(32)27-10(2)13(20)30/h9-12H,3-8,19H2,1-2H3,(H2,20,30)(H,27,32)(H,28,31)(H,29,33)(H4,21,22,25)(H4,23,24,26)/t9-,10-,11-,12-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide?
(2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide has a molecular weight of 471.57 g/mol, XLogP of -4.60, 15 rotatable bonds, 9 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanamide is sourced from PubChem (CID 164513510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).