(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide

C19H23N3O2 — CID 14991605

IUPAC(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide
SMILESNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c20-16(13-15-9-5-2-6-10-15)19(24)22-17(18(21)23)12-11-14-7-3-1-4-8-14/h1-10,16-17H,11-13,20H2,(H2,21,23)(H,22,24)/t16-,17-/m0/s1
InChIKeyLGHUTVPNFHRBNO-IRXDYDNUSA-N
MW325.41 g/mol
LogP1.16
Rot. Bonds8

About (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide

(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide (PubChem CID 14991605) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide
PubChem CID14991605
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide
SMILESNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c20-16(13-15-9-5-2-6-10-15)19(24)22-17(18(21)23)12-11-14-7-3-1-4-8-14/h1-10,16-17H,11-13,20H2,(H2,21,23)(H,22,24)/t16-,17-/m0/s1
InChIKeyLGHUTVPNFHRBNO-IRXDYDNUSA-N
XLogP1.16
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
(2S)-2-amino-N-[(3S,9S)-9-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5,7-difluoro-4,6,8-trioxo-1,11-diphenylundecan-3-yl]-3-phenylpropanamide
CID 87514320
2-acetamido-4-phenylbutanamide
CID 67451841
[(5S)-6-amino-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl] carbamate
CID 175180688
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 7016090
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
(2S)-2-amino-N-[(3S)-1-ethoxy-2-oxo-5-phenylpentan-3-yl]-3-phenylpropanamide
CID 131722875
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide
CID 134827658
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80750444
2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanoyl]amino]ethanesulfonic acid
CID 142913661
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869775

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide?
The IUPAC name of (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide (CID 14991605) is (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide is NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide?
The InChIKey is LGHUTVPNFHRBNO-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-16(13-15-9-5-2-6-10-15)19(24)22-17(18(21)23)12-11-14-7-3-1-4-8-14/h1-10,16-17H,11-13,20H2,(H2,21,23)(H,22,24)/t16-,17-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide?
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide has a molecular weight of 325.41 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide is sourced from PubChem (CID 14991605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).