tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C151H201N17O28 — CID 160579652

IUPACtert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O.CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CCN(CC)C(=O)[C@@H](N)CCCNC(=O)OCC1c2ccccc2-c2ccccc21.CCN(CC)C(=O)[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OC(C)(C)C.CCN(CC)C(=O)[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)[C@@H]1CCCN1.CCN(CC)C(=O)[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C34H46N4O6.C29H38N4O4.C29H39N3O5.C25H30N2O6.C24H31N3O3.C10H17NO4/c1-6-37(7-2)31(40)28(36-30(39)29-19-13-21-38(29)33(42)44-34(3,4)5)18-12-20-35-32(41)43-22-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27;1-3-33(4-2)28(35)26(32-27(34)25-15-9-17-30-25)16-10-18-31-29(36)37-19-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24;1-6-32(7-2)26(33)25(31-28(35)37-29(3,4)5)17-12-18-30-27(34)36-19-24-22-15-10-8-13-20(22)21-14-9-11-16-23(21)24;1-25(2,3)33-24(31)27-21(22(28)29)13-8-14-26-23(30)32-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20;1-3-27(4-2)23(28)22(25)14-9-15-26-24(29)30-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h8-11,14-17,27-29H,6-7,12-13,18-22H2,1-5H3,(H,35,41)(H,36,39);5-8,11-14,24-26,30H,3-4,9-10,15-19H2,1-2H3,(H,31,36)(H,32,34);8-11,13-16,24-25H,6-7,12,17-19H2,1-5H3,(H,30,34)(H,31,35);4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29);5-8,10-13,21-22H,3-4,9,14-16,25H2,1-2H3,(H,26,29);7H,4-6H2,1-3H3,(H,12,13)/t28-,29-;25-,26-;25-;21-;22-;7-/m000000/s1
InChIKeyRBPMNYPQCCGNMH-HSVOKTDASA-N
MW2702.36 g/mol
LogP22.79
Rot. Bonds50

About tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 160579652) has the molecular formula C151H201N17O28 and a molecular weight of 2702.36 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID160579652
Molecular FormulaC151H201N17O28
Molecular Weight2702.36 g/mol
Exact Mass2700.48
IUPAC Nametert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O.CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CCN(CC)C(=O)[C@@H](N)CCCNC(=O)OCC1c2ccccc2-c2ccccc21.CCN(CC)C(=O)[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OC(C)(C)C.CCN(CC)C(=O)[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)[C@@H]1CCCN1.CCN(CC)C(=O)[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C34H46N4O6.C29H38N4O4.C29H39N3O5.C25H30N2O6.C24H31N3O3.C10H17NO4/c1-6-37(7-2)31(40)28(36-30(39)29-19-13-21-38(29)33(42)44-34(3,4)5)18-12-20-35-32(41)43-22-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27;1-3-33(4-2)28(35)26(32-27(34)25-15-9-17-30-25)16-10-18-31-29(36)37-19-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24;1-6-32(7-2)26(33)25(31-28(35)37-29(3,4)5)17-12-18-30-27(34)36-19-24-22-15-10-8-13-20(22)21-14-9-11-16-23(21)24;1-25(2,3)33-24(31)27-21(22(28)29)13-8-14-26-23(30)32-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20;1-3-27(4-2)23(28)22(25)14-9-15-26-24(29)30-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h8-11,14-17,27-29H,6-7,12-13,18-22H2,1-5H3,(H,35,41)(H,36,39);5-8,11-14,24-26,30H,3-4,9-10,15-19H2,1-2H3,(H,31,36)(H,32,34);8-11,13-16,24-25H,6-7,12,17-19H2,1-5H3,(H,30,34)(H,31,35);4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29);5-8,10-13,21-22H,3-4,9,14-16,25H2,1-2H3,(H,26,29);7H,4-6H2,1-3H3,(H,12,13)/t28-,29-;25-,26-;25-;21-;22-;7-/m000000/s1
InChIKeyRBPMNYPQCCGNMH-HSVOKTDASA-N
XLogP22.79
TPSA579.48 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds50
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002702.36
LogP ≤ 522.79
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-2-[[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 175871850
tert-butyl (2S)-2-[[(2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxo-1-(propan-2-ylamino)hexan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 151307988
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 175889339
(2R)-1-(2-aminoheptanoyl)pyrrolidine-2-carbonitrile;6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;(2R)-pyrrolidine-2-carbonitrile
CID 91276611
9H-fluoren-9-ylmethyl N-[4-amino-5-(diethylamino)-5-oxopentyl]carbamate
CID 155761964
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
(2S)-5-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118247237
9H-fluoren-9-ylmethyl N-[(5S)-6-oxo-6-(propan-2-ylamino)-5-[[(2S)-pyrrolidine-2-carbonyl]amino]hexyl]carbamate
CID 151945723
tert-butyl N-[(E,4S,7S)-7-benzyl-8-[(2S)-2-[[(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxo-1-(propan-2-ylamino)hexan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-8-oxooct-5-en-4-yl]carbamate
CID 146623899
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 1268233
(2S)-6-[(2-chlorophenyl)methoxycarbonylamino]-2-[[(2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoic acid
CID 131726089
tert-butyl N-[(5S)-6-[(2S)-2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexyl]carbamate;hydrochloride
CID 175702316

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 160579652) is tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O.CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.CCN(CC)C(=O)[C@@H](N)CCCNC(=O)OCC1c2ccccc2-c2ccccc21.CCN(CC)C(=O)[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OC(C)(C)C.CCN(CC)C(=O)[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)[C@@H]1CCCN1.CCN(CC)C(=O)[C@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RBPMNYPQCCGNMH-HSVOKTDASA-N. The full InChI is InChI=1S/C34H46N4O6.C29H38N4O4.C29H39N3O5.C25H30N2O6.C24H31N3O3.C10H17NO4/c1-6-37(7-2)31(40)28(36-30(39)29-19-13-21-38(29)33(42)44-34(3,4)5)18-12-20-35-32(41)43-22-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27;1-3-33(4-2)28(35)26(32-27(34)25-15-9-17-30-25)16-10-18-31-29(36)37-19-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24;1-6-32(7-2)26(33)25(31-28(35)37-29(3,4)5)17-12-18-30-27(34)36-19-24-22-15-10-8-13-20(22)21-14-9-11-16-23(21)24;1-25(2,3)33-24(31)27-21(22(28)29)13-8-14-26-23(30)32-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20;1-3-27(4-2)23(28)22(25)14-9-15-26-24(29)30-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h8-11,14-17,27-29H,6-7,12-13,18-22H2,1-5H3,(H,35,41)(H,36,39);5-8,11-14,24-26,30H,3-4,9-10,15-19H2,1-2H3,(H,31,36)(H,32,34);8-11,13-16,24-25H,6-7,12,17-19H2,1-5H3,(H,30,34)(H,31,35);4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29);5-8,10-13,21-22H,3-4,9,14-16,25H2,1-2H3,(H,26,29);7H,4-6H2,1-3H3,(H,12,13)/t28-,29-;25-,26-;25-;21-;22-;7-/m000000/s1.
What are the key properties of tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 2702.36 g/mol, XLogP of 22.79, 50 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamate;tert-butyl (2S)-2-[[(2S)-1-(diethylamino)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate;(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;9H-fluoren-9-ylmethyl N-[(4S)-4-amino-5-(diethylamino)-5-oxopentyl]carbamate;9H-fluoren-9-ylmethyl N-[(4S)-5-(diethylamino)-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentyl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 160579652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).