[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate

C211H302N10O20Si3 — CID 159547421

IUPAC[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate
SMILESCCCCCCCCCCCCCCCCCC[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)Cc1ccccc1)(C(C)(C)C)C(C)(C)C.CCCCCCCCCCCCCCCCCC[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)(C(C)(C)C)C(C)(C)C.CCCCCCCCCCCCCCCCCC[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccccc1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C80H108N4O8Si.C68H101N3O7Si.C63H93N3O5Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-41-54-93(79(2,3)4,80(5,6)7)92-77(89)72(59-66-50-37-27-38-51-66)83-74(86)68(55-62-42-29-23-30-43-62)60-73(85)69(56-63-44-31-24-32-45-63)81-75(87)70(57-64-46-33-25-34-47-64)82-76(88)71(58-65-48-35-26-36-49-65)84-78(90)91-61-67-52-39-28-40-53-67;1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-38-47-79(67(5,6)7,68(8,9)10)78-64(75)60(51-56-45-36-29-37-46-56)70-62(73)57(48-53-39-30-26-31-40-53)52-61(72)58(49-54-41-32-27-33-42-54)69-63(74)59(50-55-43-34-28-35-44-55)71-65(76)77-66(2,3)4;1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-44-72(62(2,3)4,63(5,6)7)71-61(70)57(48-53-42-33-26-34-43-53)66-59(68)54(45-50-36-27-23-28-37-50)49-58(67)56(47-52-40-31-25-32-41-52)65-60(69)55(64)46-51-38-29-24-30-39-51/h23-40,42-53,68-72H,8-22,41,54-61H2,1-7H3,(H,81,87)(H,82,88)(H,83,86)(H,84,90);26-37,39-46,57-60H,11-25,38,47-52H2,1-10H3,(H,69,74)(H,70,73)(H,71,76);23-34,36-43,54-57H,8-22,35,44-49,64H2,1-7H3,(H,65,69)(H,66,68)/t68-,69+,70+,71+,72+;57-,58+,59+,60+;54-,55+,56+,57+/m111/s1
InChIKeyMEYWWKJBFBDBAQ-LNUFJNERSA-N
MW3383.04 g/mol
LogP46.80
Rot. Bonds110

About [ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate

[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate (PubChem CID 159547421) has the molecular formula C211H302N10O20Si3 and a molecular weight of 3383.04 g/mol. Its IUPAC name is [ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Name[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate
PubChem CID159547421
Molecular FormulaC211H302N10O20Si3
Molecular Weight3383.04 g/mol
Exact Mass3380.22
IUPAC Name[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate
SMILESCCCCCCCCCCCCCCCCCC[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)Cc1ccccc1)(C(C)(C)C)C(C)(C)C.CCCCCCCCCCCCCCCCCC[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)(C(C)(C)C)C(C)(C)C.CCCCCCCCCCCCCCCCCC[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccccc1)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C80H108N4O8Si.C68H101N3O7Si.C63H93N3O5Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-41-54-93(79(2,3)4,80(5,6)7)92-77(89)72(59-66-50-37-27-38-51-66)83-74(86)68(55-62-42-29-23-30-43-62)60-73(85)69(56-63-44-31-24-32-45-63)81-75(87)70(57-64-46-33-25-34-47-64)82-76(88)71(58-65-48-35-26-36-49-65)84-78(90)91-61-67-52-39-28-40-53-67;1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-38-47-79(67(5,6)7,68(8,9)10)78-64(75)60(51-56-45-36-29-37-46-56)70-62(73)57(48-53-39-30-26-31-40-53)52-61(72)58(49-54-41-32-27-33-42-54)69-63(74)59(50-55-43-34-28-35-44-55)71-65(76)77-66(2,3)4;1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-44-72(62(2,3)4,63(5,6)7)71-61(70)57(48-53-42-33-26-34-43-53)66-59(68)54(45-50-36-27-23-28-37-50)49-58(67)56(47-52-40-31-25-32-41-52)65-60(69)55(64)46-51-38-29-24-30-39-51/h23-40,42-53,68-72H,8-22,41,54-61H2,1-7H3,(H,81,87)(H,82,88)(H,83,86)(H,84,90);26-37,39-46,57-60H,11-25,38,47-52H2,1-10H3,(H,69,74)(H,70,73)(H,71,76);23-34,36-43,54-57H,8-22,35,44-49,64H2,1-7H3,(H,65,69)(H,66,68)/t68-,69+,70+,71+,72+;57-,58+,59+,60+;54-,55+,56+,57+/m111/s1
InChIKeyMEYWWKJBFBDBAQ-LNUFJNERSA-N
XLogP46.80
TPSA436.49 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds110
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003383.04
LogP ≤ 546.80
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze [ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 155614679
methyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoylamino]-3-phenylpropanoate
CID 164740978
tert-butyl N-[6-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-5-benzyl-3,6-dioxo-1-phenylhexan-2-yl]carbamate
CID 20739133
tert-butyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]-3-phenylpropanoate
CID 174175753
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 12879039
benzyl N-[1-(4-hydroxy-2,6-dimethylphenyl)-9-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-5-[(3-oxo-1-phenylbutan-2-yl)carbamoyl]nonan-2-yl]carbamate
CID 158586741
tert-butyl N-[6-[[5-amino-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-5-benzyl-3,6-dioxo-1-phenylhexan-2-yl]carbamate
CID 3332064
benzyl (3R)-3-benzyl-4-oxo-4-[[(2S)-1-oxo-3-phenyl-1-[tris[(2-methylpropan-2-yl)oxy]silyloxy]propan-2-yl]amino]butanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-amino-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate;tris[(2-methylpropan-2-yl)oxy]silyl (2S)-2-[[(2R,5S)-2-benzyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate
CID 158992210
(2S)-2-[[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-3-phenylpropanoic acid
CID 134312999
methyl 2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoate
CID 69398795
1-O-benzyl 4-O-tert-butyl (2S)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenylbutyl]butanedioate
CID 10602181
(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

Frequently Asked Questions

What is the IUPAC name of [ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate?
The IUPAC name of [ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate (CID 159547421) is [ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for [ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate?
The canonical SMILES for [ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate is CCCCCCCCCCCCCCCCCC[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)Cc1ccccc1)(C(C)(C)C)C(C)(C)C.CCCCCCCCCCCCCCCCCC[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)(C(C)(C)C)C(C)(C)C.CCCCCCCCCCCCCCCCCC[Si](OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Cc1ccccc1)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of [ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate?
The InChIKey is MEYWWKJBFBDBAQ-LNUFJNERSA-N. The full InChI is InChI=1S/C80H108N4O8Si.C68H101N3O7Si.C63H93N3O5Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-41-54-93(79(2,3)4,80(5,6)7)92-77(89)72(59-66-50-37-27-38-51-66)83-74(86)68(55-62-42-29-23-30-43-62)60-73(85)69(56-63-44-31-24-32-45-63)81-75(87)70(57-64-46-33-25-34-47-64)82-76(88)71(58-65-48-35-26-36-49-65)84-78(90)91-61-67-52-39-28-40-53-67;1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-38-47-79(67(5,6)7,68(8,9)10)78-64(75)60(51-56-45-36-29-37-46-56)70-62(73)57(48-53-39-30-26-31-40-53)52-61(72)58(49-54-41-32-27-33-42-54)69-63(74)59(50-55-43-34-28-35-44-55)71-65(76)77-66(2,3)4;1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-44-72(62(2,3)4,63(5,6)7)71-61(70)57(48-53-42-33-26-34-43-53)66-59(68)54(45-50-36-27-23-28-37-50)49-58(67)56(47-52-40-31-25-32-41-52)65-60(69)55(64)46-51-38-29-24-30-39-51/h23-40,42-53,68-72H,8-22,41,54-61H2,1-7H3,(H,81,87)(H,82,88)(H,83,86)(H,84,90);26-37,39-46,57-60H,11-25,38,47-52H2,1-10H3,(H,69,74)(H,70,73)(H,71,76);23-34,36-43,54-57H,8-22,35,44-49,64H2,1-7H3,(H,65,69)(H,66,68)/t68-,69+,70+,71+,72+;57-,58+,59+,60+;54-,55+,56+,57+/m111/s1.
What are the key properties of [ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate?
[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate has a molecular weight of 3383.04 g/mol, XLogP of 46.80, 110 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-5-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-4-oxo-6-phenylhexanoyl]amino]-3-phenylpropanoate;[ditert-butyl(octadecyl)silyl] (2S)-2-[[(2R,5S)-2-benzyl-4-oxo-6-phenyl-5-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 159547421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).