(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate

C88H112N6O13Si2 — CID 158745438

IUPAC(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
SMILESCC(C)[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)(C(C)C)C(C)C.CC(C)[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)(C(C)C)C(C)C.O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C35H46N2O5Si.C27H40N2O3Si.C26H26N2O5/c1-25(2)43(26(3)4,27(5)6)42-34(39)32(23-29-18-12-8-13-19-29)36-33(38)31(22-28-16-10-7-11-17-28)37-35(40)41-24-30-20-14-9-15-21-30;1-19(2)33(20(3)4,21(5)6)32-27(31)25(18-23-15-11-8-12-16-23)29-26(30)24(28)17-22-13-9-7-10-14-22;29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h7-21,25-27,31-32H,22-24H2,1-6H3,(H,36,38)(H,37,40);7-16,19-21,24-25H,17-18,28H2,1-6H3,(H,29,30);1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t31-,32-;24-,25-;22-,23-/m000/s1
InChIKeyIMVDIHDTWBLKAS-PHZRZIKASA-N
MW1518.06 g/mol
LogP15.31
Rot. Bonds35

About (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate

(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate (PubChem CID 158745438) has the molecular formula C88H112N6O13Si2 and a molecular weight of 1518.06 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
PubChem CID158745438
Molecular FormulaC88H112N6O13Si2
Molecular Weight1518.06 g/mol
Exact Mass1516.78
IUPAC Name(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
SMILESCC(C)[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)(C(C)C)C(C)C.CC(C)[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)(C(C)C)C(C)C.O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C35H46N2O5Si.C27H40N2O3Si.C26H26N2O5/c1-25(2)43(26(3)4,27(5)6)42-34(39)32(23-29-18-12-8-13-19-29)36-33(38)31(22-28-16-10-7-11-17-28)37-35(40)41-24-30-20-14-9-15-21-30;1-19(2)33(20(3)4,21(5)6)32-27(31)25(18-23-15-11-8-12-16-23)29-26(30)24(28)17-22-13-9-7-10-14-22;29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h7-21,25-27,31-32H,22-24H2,1-6H3,(H,36,38)(H,37,40);7-16,19-21,24-25H,17-18,28H2,1-6H3,(H,29,30);1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t31-,32-;24-,25-;22-,23-/m000/s1
InChIKeyIMVDIHDTWBLKAS-PHZRZIKASA-N
XLogP15.31
TPSA279.88 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds35
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001518.06
LogP ≤ 515.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate with MolForge

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Related Compounds

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benzyl (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
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CID 67335724
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(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
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(2R)-3-methyl-2-[[3-phenyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butanoic acid
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2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
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2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18223402
(2S)-2-[[(2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoic acid
CID 12990551
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Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate?
The IUPAC name of (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate (CID 158745438) is (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate.
What is the SMILES notation for (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate?
The canonical SMILES for (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate is CC(C)[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)(C(C)C)C(C)C.CC(C)[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)(C(C)C)C(C)C.O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate?
The InChIKey is IMVDIHDTWBLKAS-PHZRZIKASA-N. The full InChI is InChI=1S/C35H46N2O5Si.C27H40N2O3Si.C26H26N2O5/c1-25(2)43(26(3)4,27(5)6)42-34(39)32(23-29-18-12-8-13-19-29)36-33(38)31(22-28-16-10-7-11-17-28)37-35(40)41-24-30-20-14-9-15-21-30;1-19(2)33(20(3)4,21(5)6)32-27(31)25(18-23-15-11-8-12-16-23)29-26(30)24(28)17-22-13-9-7-10-14-22;29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h7-21,25-27,31-32H,22-24H2,1-6H3,(H,36,38)(H,37,40);7-16,19-21,24-25H,17-18,28H2,1-6H3,(H,29,30);1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t31-,32-;24-,25-;22-,23-/m000/s1.
What are the key properties of (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate?
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate has a molecular weight of 1518.06 g/mol, XLogP of 15.31, 35 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid;tri(propan-2-yl)silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tri(propan-2-yl)silyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate is sourced from PubChem (CID 158745438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).