[(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium

C19H31N8O5P+2 — CID 78225939

IUPAC[(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium
SMILESC[C@H](C[P+](O)(O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])Cc1nn[nH]n1)C(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C19H29N8O5P/c1-11(18(29)22-12(2)17(21)28)10-33(31,32)16(8-13-6-4-3-5-7-13)23-19(30)14(20)9-15-24-26-27-25-15/h3-7,11-12,14,16,31-32H,8-10,20H2,1-2H3,(H4-,21,22,23,24,25,26,27,28,29,30)/p+2/t11-,12+,14-,16-/m1/s1
InChIKeyOTAIETMFIUGCTF-FAXLKDOZSA-P
MW482.48 g/mol
LogP-2.50
Rot. Bonds12

About [(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium

[(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium (PubChem CID 78225939) has the molecular formula C19H31N8O5P+2 and a molecular weight of 482.48 g/mol. Its IUPAC name is [(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name[(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium
PubChem CID78225939
Molecular FormulaC19H31N8O5P+2
Molecular Weight482.48 g/mol
Exact Mass482.21
IUPAC Name[(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium
SMILESC[C@H](C[P+](O)(O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])Cc1nn[nH]n1)C(=O)N[C@@H](C)C(N)=O
InChIInChI=1S/C19H29N8O5P/c1-11(18(29)22-12(2)17(21)28)10-33(31,32)16(8-13-6-4-3-5-7-13)23-19(30)14(20)9-15-24-26-27-25-15/h3-7,11-12,14,16,31-32H,8-10,20H2,1-2H3,(H4-,21,22,23,24,25,26,27,28,29,30)/p+2/t11-,12+,14-,16-/m1/s1
InChIKeyOTAIETMFIUGCTF-FAXLKDOZSA-P
XLogP-2.50
TPSA223.85 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.48
LogP ≤ 5-2.50
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium?
The IUPAC name of [(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium (CID 78225939) is [(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium.
What is the SMILES notation for [(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium?
The canonical SMILES for [(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium is C[C@H](C[P+](O)(O)[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])Cc1nn[nH]n1)C(=O)N[C@@H](C)C(N)=O.
What is the InChIKey of [(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium?
The InChIKey is OTAIETMFIUGCTF-FAXLKDOZSA-P. The full InChI is InChI=1S/C19H29N8O5P/c1-11(18(29)22-12(2)17(21)28)10-33(31,32)16(8-13-6-4-3-5-7-13)23-19(30)14(20)9-15-24-26-27-25-15/h3-7,11-12,14,16,31-32H,8-10,20H2,1-2H3,(H4-,21,22,23,24,25,26,27,28,29,30)/p+2/t11-,12+,14-,16-/m1/s1.
What are the key properties of [(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium?
[(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium has a molecular weight of 482.48 g/mol, XLogP of -2.50, 12 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[(1R)-1-[[(2S)-3-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-methyl-3-oxopropyl]-dihydroxyphosphaniumyl]-2-phenylethyl]amino]-1-oxo-3-(2H-tetrazol-5-yl)propan-2-yl]azanium is sourced from PubChem (CID 78225939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).