(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid

C25H35N5O4 — CID 175911269

IUPAC(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid
SMILESNCCC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C25H35N5O4/c26-15-7-13-19(23(31)30-20(25(33)34)14-8-16-27)29-24(32)22(28)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-22H,7-8,13-16,26-28H2,(H,29,32)(H,30,31)(H,33,34)/t19-,20-,22-/m0/s1
InChIKeyTWJHNCGXKDZISS-ONTIZHBOSA-N
MW469.59 g/mol
LogP0.68
Rot. Bonds14

About (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid

(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid (PubChem CID 175911269) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid
PubChem CID175911269
Molecular FormulaC25H35N5O4
Molecular Weight469.59 g/mol
Exact Mass469.27
IUPAC Name(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid
SMILESNCCC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C25H35N5O4/c26-15-7-13-19(23(31)30-20(25(33)34)14-8-16-27)29-24(32)22(28)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-22H,7-8,13-16,26-28H2,(H,29,32)(H,30,31)(H,33,34)/t19-,20-,22-/m0/s1
InChIKeyTWJHNCGXKDZISS-ONTIZHBOSA-N
XLogP0.68
TPSA173.56 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 50.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 10819296
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 175735177
6-amino-2-[[6-amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoic acid
CID 18296830
(2S)-5-amino-2-[(2,2-diphenylacetyl)amino]-N-[(1R)-2-hydroxy-1-phenylethyl]pentanamide
CID 86755915
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid
CID 145456719
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
CID 9209271
2-[[6-amino-2-[[6-amino-2-[(2-amino-3-methylpentanoyl)amino]hexanoyl]amino]hexanoyl]amino]-3-phenylpropanoic acid
CID 18296033
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2R)-6-amino-2-[[(2R)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 125032952
2-[[6-amino-2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]hexanoyl]amino]-3-phenylpropanoic acid
CID 18745329
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid
CID 3036472
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]pentanedioic acid
CID 86298435
5-amino-2-[[2-[[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid
CID 18749754

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid (CID 175911269) is (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid is NCCC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid?
The InChIKey is TWJHNCGXKDZISS-ONTIZHBOSA-N. The full InChI is InChI=1S/C25H35N5O4/c26-15-7-13-19(23(31)30-20(25(33)34)14-8-16-27)29-24(32)22(28)21(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19-22H,7-8,13-16,26-28H2,(H,29,32)(H,30,31)(H,33,34)/t19-,20-,22-/m0/s1.
What are the key properties of (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid?
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid has a molecular weight of 469.59 g/mol, XLogP of 0.68, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3,3-diphenylpropanoyl]amino]pentanoyl]amino]pentanoic acid is sourced from PubChem (CID 175911269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).