methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid

C102H152N14O25 — CID 158165562

IUPACmethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
SMILESCC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O.COC(=O)C1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1.COC(=O)C1(NC(=O)OC(C)(C)C)CCNCC1
InChIInChI=1S/C51H75N7O12.C39H55N5O9.C12H22N2O4/c1-48(2,3)68-45(64)52-28-18-17-24-36(42(61)57-30-26-51(27-31-57,44(63)67-10)56-47(66)70-50(7,8)9)53-41(60)39-25-19-29-58(39)43(62)38(33-35-22-15-12-16-23-35)54-40(59)37(32-34-20-13-11-14-21-34)55-46(65)69-49(4,5)6;1-38(2,3)52-36(50)40-22-14-13-20-28(35(48)49)41-33(46)31-21-15-23-44(31)34(47)30(25-27-18-11-8-12-19-27)42-32(45)29(24-26-16-9-7-10-17-26)43-37(51)53-39(4,5)6;1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h11-16,20-23,36-39H,17-19,24-33H2,1-10H3,(H,52,64)(H,53,60)(H,54,59)(H,55,65)(H,56,66);7-12,16-19,28-31H,13-15,20-25H2,1-6H3,(H,40,50)(H,41,46)(H,42,45)(H,43,51)(H,48,49);13H,5-8H2,1-4H3,(H,14,16)/t36-,37-,38-,39-;28-,29-,30-,31-;/m11./s1
InChIKeyFWUKQZJHOZJHES-JHHMQNMQSA-N
MW1974.41 g/mol
LogP9.99
Rot. Bonds36

About methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid

methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid (PubChem CID 158165562) has the molecular formula C102H152N14O25 and a molecular weight of 1974.41 g/mol. Its IUPAC name is methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Namemethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
PubChem CID158165562
Molecular FormulaC102H152N14O25
Molecular Weight1974.41 g/mol
Exact Mass1973.11
IUPAC Namemethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
SMILESCC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O.COC(=O)C1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1.COC(=O)C1(NC(=O)OC(C)(C)C)CCNCC1
InChIInChI=1S/C51H75N7O12.C39H55N5O9.C12H22N2O4/c1-48(2,3)68-45(64)52-28-18-17-24-36(42(61)57-30-26-51(27-31-57,44(63)67-10)56-47(66)70-50(7,8)9)53-41(60)39-25-19-29-58(39)43(62)38(33-35-22-15-12-16-23-35)54-40(59)37(32-34-20-13-11-14-21-34)55-46(65)69-49(4,5)6;1-38(2,3)52-36(50)40-22-14-13-20-28(35(48)49)41-33(46)31-21-15-23-44(31)34(47)30(25-27-18-11-8-12-19-27)42-32(45)29(24-26-16-9-7-10-17-26)43-37(51)53-39(4,5)6;1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h11-16,20-23,36-39H,17-19,24-33H2,1-10H3,(H,52,64)(H,53,60)(H,54,59)(H,55,65)(H,56,66);7-12,16-19,28-31H,13-15,20-25H2,1-6H3,(H,40,50)(H,41,46)(H,42,45)(H,43,51)(H,48,49);13H,5-8H2,1-4H3,(H,14,16)/t36-,37-,38-,39-;28-,29-,30-,31-;/m11./s1
InChIKeyFWUKQZJHOZJHES-JHHMQNMQSA-N
XLogP9.99
TPSA509.24 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds36
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001974.41
LogP ≤ 59.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-[2-[[2-[[2-[[2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
CID 139367128
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[7,7,7-trifluoro-2-[[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]heptanoyl]amino]hexanoyl]piperidine-4-carboxylic acid
CID 174937248
ethyl (2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;ethyl (2R)-pyrrolidine-2-carboxylate;methyl (2R)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl (2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid;(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid;(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 158795147
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-[[2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pent-4-ynoylamino]hexanoyl]piperidine-4-carboxylate
CID 175251646
2-methoxyethyl 1-[(2R)-2-[[(2R)-4-methyl-2-[[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
CID 155783357
tert-butyl N-[(5S)-6-amino-5-[[(2S)-1-[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-6-oxohexyl]carbamate
CID 134528638
tert-butyl N-[(5R)-6-[2-[(2R)-1-acetylpyrrolidine-2-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]-5-[[(2R)-4-methyl-2-[[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-6-oxohexyl]carbamate
CID 167439456
methyl (2R)-1-[7-[(2R)-2-[[4-methyl-2-[[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxylate
CID 137433045
methyl 1-[(2R)-2-[[(2S,5R)-5-[[(2R)-3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-2-(2-methylpropyl)-4-oxo-6-phenylhexanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
CID 157124328
tert-butyl N-[1-[[1-[[4-methyl-1-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)hexan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 146586393
methyl 1-[2-[[4-methyl-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]piperidine-4-carboxylate
CID 139367144
methyl (2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]pentanoate
CID 134826542

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid?
The IUPAC name of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid (CID 158165562) is methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid.
What is the SMILES notation for methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid?
The canonical SMILES for methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid is CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O.COC(=O)C1(NC(=O)OC(C)(C)C)CCN(C(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1.COC(=O)C1(NC(=O)OC(C)(C)C)CCNCC1.
What is the InChIKey of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid?
The InChIKey is FWUKQZJHOZJHES-JHHMQNMQSA-N. The full InChI is InChI=1S/C51H75N7O12.C39H55N5O9.C12H22N2O4/c1-48(2,3)68-45(64)52-28-18-17-24-36(42(61)57-30-26-51(27-31-57,44(63)67-10)56-47(66)70-50(7,8)9)53-41(60)39-25-19-29-58(39)43(62)38(33-35-22-15-12-16-23-35)54-40(59)37(32-34-20-13-11-14-21-34)55-46(65)69-49(4,5)6;1-38(2,3)52-36(50)40-22-14-13-20-28(35(48)49)41-33(46)31-21-15-23-44(31)34(47)30(25-27-18-11-8-12-19-27)42-32(45)29(24-26-16-9-7-10-17-26)43-37(51)53-39(4,5)6;1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h11-16,20-23,36-39H,17-19,24-33H2,1-10H3,(H,52,64)(H,53,60)(H,54,59)(H,55,65)(H,56,66);7-12,16-19,28-31H,13-15,20-25H2,1-6H3,(H,40,50)(H,41,46)(H,42,45)(H,43,51)(H,48,49);13H,5-8H2,1-4H3,(H,14,16)/t36-,37-,38-,39-;28-,29-,30-,31-;/m11./s1.
What are the key properties of methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid?
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid has a molecular weight of 1974.41 g/mol, XLogP of 9.99, 36 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]piperidine-4-carboxylate;methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate;(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 158165562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).