[(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane

C20H41N5O7P- — CID 160658433

IUPAC[(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane
SMILESCCC(=O)N[C@H](CC)C(=O)O[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(C)=O.P.[NH2-]
InChIInChI=1S/C20H36N4O7.H2N.H3P/c1-5-14(22-17(27)6-2)20(30)31-13(4)18(28)24-16(11-25)19(29)23-15(12(3)26)9-7-8-10-21;;/h13-16,25H,5-11,21H2,1-4H3,(H,22,27)(H,23,29)(H,24,28);1H2;1H3/q;-1;/t13-,14+,15+,16-;;/m0../s1
InChIKeyFTNDHPZXKFOCCN-QURTVKIXSA-N
MW494.55 g/mol
LogP-0.32
Rot. Bonds15

About [(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane

[(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane (PubChem CID 160658433) has the molecular formula C20H41N5O7P- and a molecular weight of 494.55 g/mol. Its IUPAC name is [(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane.

Molecular Properties

Compound Name[(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane
PubChem CID160658433
Molecular FormulaC20H41N5O7P-
Molecular Weight494.55 g/mol
Exact Mass494.27
IUPAC Name[(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane
SMILESCCC(=O)N[C@H](CC)C(=O)O[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(C)=O.P.[NH2-]
InChIInChI=1S/C20H36N4O7.H2N.H3P/c1-5-14(22-17(27)6-2)20(30)31-13(4)18(28)24-16(11-25)19(29)23-15(12(3)26)9-7-8-10-21;;/h13-16,25H,5-11,21H2,1-4H3,(H,22,27)(H,23,29)(H,24,28);1H2;1H3/q;-1;/t13-,14+,15+,16-;;/m0../s1
InChIKeyFTNDHPZXKFOCCN-QURTVKIXSA-N
XLogP-0.32
TPSA210.42 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 5-0.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane with MolForge

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Related Compounds

N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal
CID 91096311
6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane
CID 170713669
2-[[2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid
CID 18489263
2-[[2-[[6-amino-2-(2-aminopropanoylamino)hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid
CID 18237247
(2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide
CID 178156190
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoic acid
CID 167110007
S-[(2R)-2-amino-3-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-oxopropyl] ethanethioate
CID 126761951
(2S,3S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid
CID 145456768
2-[[6-amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoic acid
CID 18297620
6-amino-2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
CID 18295711
2-[[6-amino-2-[(2-aminoacetyl)amino]hexanoyl]amino]-3-hydroxypropanoic acid
CID 18221080
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]hexanamide
CID 56602231

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane?
The IUPAC name of [(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane (CID 160658433) is [(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane.
What is the SMILES notation for [(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane?
The canonical SMILES for [(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane is CCC(=O)N[C@H](CC)C(=O)O[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(C)=O.P.[NH2-].
What is the InChIKey of [(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane?
The InChIKey is FTNDHPZXKFOCCN-QURTVKIXSA-N. The full InChI is InChI=1S/C20H36N4O7.H2N.H3P/c1-5-14(22-17(27)6-2)20(30)31-13(4)18(28)24-16(11-25)19(29)23-15(12(3)26)9-7-8-10-21;;/h13-16,25H,5-11,21H2,1-4H3,(H,22,27)(H,23,29)(H,24,28);1H2;1H3/q;-1;/t13-,14+,15+,16-;;/m0../s1.
What are the key properties of [(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane?
[(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane has a molecular weight of 494.55 g/mol, XLogP of -0.32, 15 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[(2S)-1-[[(3R)-7-amino-2-oxoheptan-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl] (2R)-2-(propanoylamino)butanoate;azanide;phosphane is sourced from PubChem (CID 160658433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).