(2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide

C33H39N5O5 — CID 143912776

IUPAC(2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C(Cc1ccco1)NC(=O)[C@H](C)N
InChIInChI=1S/C33H39N5O5/c1-21(34)30(39)36-27(18-26-14-9-15-43-26)32(41)38-20-25(23-12-7-4-8-13-23)17-29(38)33(42)37-19-24(16-28(37)31(40)35-2)22-10-5-3-6-11-22/h3-15,21,24-25,27-29H,16-20,34H2,1-2H3,(H,35,40)(H,36,39)/t21-,24-,25-,27?,28-,29-/m0/s1
InChIKeyZQHAPJQAUKHRKR-KBBUMLKHSA-N
MW585.71 g/mol
LogP2.17
Rot. Bonds9

About (2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide

(2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide (PubChem CID 143912776) has the molecular formula C33H39N5O5 and a molecular weight of 585.71 g/mol. Its IUPAC name is (2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide
PubChem CID143912776
Molecular FormulaC33H39N5O5
Molecular Weight585.71 g/mol
Exact Mass585.30
IUPAC Name(2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C(Cc1ccco1)NC(=O)[C@H](C)N
InChIInChI=1S/C33H39N5O5/c1-21(34)30(39)36-27(18-26-14-9-15-43-26)32(41)38-20-25(23-12-7-4-8-13-23)17-29(38)33(42)37-19-24(16-28(37)31(40)35-2)22-10-5-3-6-11-22/h3-15,21,24-25,27-29H,16-20,34H2,1-2H3,(H,35,40)(H,36,39)/t21-,24-,25-,27?,28-,29-/m0/s1
InChIKeyZQHAPJQAUKHRKR-KBBUMLKHSA-N
XLogP2.17
TPSA137.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.71
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide (CID 143912776) is (2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)C(Cc1ccco1)NC(=O)[C@H](C)N.
What is the InChIKey of (2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide?
The InChIKey is ZQHAPJQAUKHRKR-KBBUMLKHSA-N. The full InChI is InChI=1S/C33H39N5O5/c1-21(34)30(39)36-27(18-26-14-9-15-43-26)32(41)38-20-25(23-12-7-4-8-13-23)17-29(38)33(42)37-19-24(16-28(37)31(40)35-2)22-10-5-3-6-11-22/h3-15,21,24-25,27-29H,16-20,34H2,1-2H3,(H,35,40)(H,36,39)/t21-,24-,25-,27?,28-,29-/m0/s1.
What are the key properties of (2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide?
(2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide has a molecular weight of 585.71 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(2S,4R)-1-[2-[[(2S)-2-aminopropanoyl]amino]-3-(furan-2-yl)propanoyl]-4-phenylpyrrolidine-2-carbonyl]-N-methyl-4-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143912776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).