2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride

C24H46Cl4N10O3Pt2 — CID 46201051

IUPAC2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride
SMILESNCC(N)C(=O)NCCCc1cc(CCCNNC(=O)C(N)CN)cc(CCCNC(=O)C(N)CN)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2].[Pt+2]
InChIInChI=1S/C24H46N10O3.4ClH.2Pt/c25-13-19(28)22(35)31-7-1-4-16-10-17(5-2-8-32-23(36)20(29)14-26)12-18(11-16)6-3-9-33-34-24(37)21(30)15-27;;;;;;/h10-12,19-21,33H,1-9,13-15,25-30H2,(H,31,35)(H,32,36)(H,34,37);4*1H;;/q;;;;;2*+2/p-4
InChIKeyADQXPKLJZOBQFT-UHFFFAOYSA-J
MW1054.67 g/mol
LogP-15.79
Rot. Bonds19

About 2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride

2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride (PubChem CID 46201051) has the molecular formula C24H46Cl4N10O3Pt2 and a molecular weight of 1054.67 g/mol. Its IUPAC name is 2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride.

Molecular Properties

Compound Name2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride
PubChem CID46201051
Molecular FormulaC24H46Cl4N10O3Pt2
Molecular Weight1054.67 g/mol
Exact Mass1052.18
IUPAC Name2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride
SMILESNCC(N)C(=O)NCCCc1cc(CCCNNC(=O)C(N)CN)cc(CCCNC(=O)C(N)CN)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2].[Pt+2]
InChIInChI=1S/C24H46N10O3.4ClH.2Pt/c25-13-19(28)22(35)31-7-1-4-16-10-17(5-2-8-32-23(36)20(29)14-26)12-18(11-16)6-3-9-33-34-24(37)21(30)15-27;;;;;;/h10-12,19-21,33H,1-9,13-15,25-30H2,(H,31,35)(H,32,36)(H,34,37);4*1H;;/q;;;;;2*+2/p-4
InChIKeyADQXPKLJZOBQFT-UHFFFAOYSA-J
XLogP-15.79
TPSA255.45 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001054.67
LogP ≤ 5-15.79
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride?
The IUPAC name of 2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride (CID 46201051) is 2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride.
What is the SMILES notation for 2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride?
The canonical SMILES for 2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride is NCC(N)C(=O)NCCCc1cc(CCCNNC(=O)C(N)CN)cc(CCCNC(=O)C(N)CN)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2].[Pt+2].
What is the InChIKey of 2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride?
The InChIKey is ADQXPKLJZOBQFT-UHFFFAOYSA-J. The full InChI is InChI=1S/C24H46N10O3.4ClH.2Pt/c25-13-19(28)22(35)31-7-1-4-16-10-17(5-2-8-32-23(36)20(29)14-26)12-18(11-16)6-3-9-33-34-24(37)21(30)15-27;;;;;;/h10-12,19-21,33H,1-9,13-15,25-30H2,(H,31,35)(H,32,36)(H,34,37);4*1H;;/q;;;;;2*+2/p-4.
What are the key properties of 2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride?
2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride has a molecular weight of 1054.67 g/mol, XLogP of -15.79, 19 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-N-[3-[3-[3-(2,3-diaminopropanoylamino)propyl]-5-[3-[2-(2,3-diaminopropanoyl)hydrazinyl]propyl]phenyl]propyl]propanamide;bis(platinum(2+));tetrachloride is sourced from PubChem (CID 46201051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).