(2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide

C25H33N5O5 — CID 24853671

IUPAC(2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
InChIKeyGRHNSLXBGRDMSP-CZAAIQMYSA-N
MW483.57 g/mol
LogP-0.22
Rot. Bonds11

About (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide

(2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 24853671) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID24853671
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC Name(2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
InChIKeyGRHNSLXBGRDMSP-CZAAIQMYSA-N
XLogP-0.22
TPSA159.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide with MolForge

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Related Compounds

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Dpdpe
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Cyclo(L-Pro-L-Tyr)
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Damgo
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CID 151243
Ornipressin
CID 14257660

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide (CID 24853671) is (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide is C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is GRHNSLXBGRDMSP-CZAAIQMYSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide?
(2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 483.57 g/mol, XLogP of -0.22, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2R)-1-[[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 24853671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).