1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid)

C199H239F6N13O29 — CID 159483519

IUPAC1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)(C)NC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)CCCC(=O)CCc1cccc2ccccc12.CC(C)(C)OC(=O)CCCC(=O)CCc1cccc2ccccc12.C[C@@H](CC(=O)Cc1cccc2ccccc12)CC(=O)OC(C)(C)C.C[C@@H](CC(=O)Cc1cccc2ccccc12)CC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1.C[C@H](N)CC(=O)Cc1cccc2ccccc12.C[C@H](NC(=O)C[C@H](CC(=O)NC(C)(C)C)NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)Cc1ccccc1.C[C@H](NC(=O)C[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)Cc1ccccc1.NCCC(=O)CCc1cccc2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/2C33H40N2O4.C29H34N4O5.C28H37N3O4.2C21H26O3.2C15H17NO.2C2HF3O2/c1-23(19-27(36)21-26-15-10-14-25-13-8-9-16-28(25)26)20-30(37)29(22-32(39)35-33(2,3)4)34-31(38)18-17-24-11-6-5-7-12-24;1-33(2,3)35-32(39)23-29(34-31(38)22-19-24-11-5-4-6-12-24)30(37)18-10-16-27(36)21-20-26-15-9-14-25-13-7-8-17-28(25)26;1-18(24(34)14-19-10-6-5-7-11-19)31-25(35)15-20(16-26(36)33-29(2,3)4)32-28(38)27(37)22-17-30-23-13-9-8-12-21(22)23;1-20(24(32)17-22-13-9-6-10-14-22)29-26(34)18-23(19-27(35)31-28(2,3)4)30-25(33)16-15-21-11-7-5-8-12-21;1-15(13-20(23)24-21(2,3)4)12-18(22)14-17-10-7-9-16-8-5-6-11-19(16)17;1-21(2,3)24-20(23)13-7-11-18(22)15-14-17-10-6-9-16-8-4-5-12-19(16)17;1-11(16)9-14(17)10-13-7-4-6-12-5-2-3-8-15(12)13;16-11-10-14(17)9-8-13-6-3-5-12-4-1-2-7-15(12)13;2*3-2(4,5)1(6)7/h5-16,23,29H,17-22H2,1-4H3,(H,34,38)(H,35,39);4-9,11-15,17,29H,10,16,18-23H2,1-3H3,(H,34,38)(H,35,39);5-13,17-18,20,30H,14-16H2,1-4H3,(H,31,35)(H,32,38)(H,33,36);5-14,20,23H,15-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,35);5-11,15H,12-14H2,1-4H3;4-6,8-10,12H,7,11,13-15H2,1-3H3;2-8,11H,9-10,16H2,1H3;1-7H,8-11,16H2;2*(H,6,7)/t23-,29-;29-;18-,20+;20-,23+;15-;;11-;;;/m00000.0.../s1
InChIKeyJMKYXXGFDJGQSC-WRLYNFCJSA-N
MW3391.15 g/mol
LogP33.03
Rot. Bonds72

About 1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid)

1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 159483519) has the molecular formula C199H239F6N13O29 and a molecular weight of 3391.15 g/mol. Its IUPAC name is 1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID159483519
Molecular FormulaC199H239F6N13O29
Molecular Weight3391.15 g/mol
Exact Mass3388.75
IUPAC Name1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)(C)NC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)CCCC(=O)CCc1cccc2ccccc12.CC(C)(C)OC(=O)CCCC(=O)CCc1cccc2ccccc12.C[C@@H](CC(=O)Cc1cccc2ccccc12)CC(=O)OC(C)(C)C.C[C@@H](CC(=O)Cc1cccc2ccccc12)CC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1.C[C@H](N)CC(=O)Cc1cccc2ccccc12.C[C@H](NC(=O)C[C@H](CC(=O)NC(C)(C)C)NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)Cc1ccccc1.C[C@H](NC(=O)C[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)Cc1ccccc1.NCCC(=O)CCc1cccc2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/2C33H40N2O4.C29H34N4O5.C28H37N3O4.2C21H26O3.2C15H17NO.2C2HF3O2/c1-23(19-27(36)21-26-15-10-14-25-13-8-9-16-28(25)26)20-30(37)29(22-32(39)35-33(2,3)4)34-31(38)18-17-24-11-6-5-7-12-24;1-33(2,3)35-32(39)23-29(34-31(38)22-19-24-11-5-4-6-12-24)30(37)18-10-16-27(36)21-20-26-15-9-14-25-13-7-8-17-28(25)26;1-18(24(34)14-19-10-6-5-7-11-19)31-25(35)15-20(16-26(36)33-29(2,3)4)32-28(38)27(37)22-17-30-23-13-9-8-12-21(22)23;1-20(24(32)17-22-13-9-6-10-14-22)29-26(34)18-23(19-27(35)31-28(2,3)4)30-25(33)16-15-21-11-7-5-8-12-21;1-15(13-20(23)24-21(2,3)4)12-18(22)14-17-10-7-9-16-8-5-6-11-19(16)17;1-21(2,3)24-20(23)13-7-11-18(22)15-14-17-10-6-9-16-8-4-5-12-19(16)17;1-11(16)9-14(17)10-13-7-4-6-12-5-2-3-8-15(12)13;16-11-10-14(17)9-8-13-6-3-5-12-4-1-2-7-15(12)13;2*3-2(4,5)1(6)7/h5-16,23,29H,17-22H2,1-4H3,(H,34,38)(H,35,39);4-9,11-15,17,29H,10,16,18-23H2,1-3H3,(H,34,38)(H,35,39);5-13,17-18,20,30H,14-16H2,1-4H3,(H,31,35)(H,32,38)(H,33,36);5-14,20,23H,15-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,35);5-11,15H,12-14H2,1-4H3;4-6,8-10,12H,7,11,13-15H2,1-3H3;2-8,11H,9-10,16H2,1H3;1-7H,8-11,16H2;2*(H,6,7)/t23-,29-;29-;18-,20+;20-,23+;15-;;11-;;;/m00000.0.../s1
InChIKeyJMKYXXGFDJGQSC-WRLYNFCJSA-N
XLogP33.03
TPSA673.80 Ų
H-Bond Donors15
H-Bond Acceptors29
Rotatable Bonds72
Heavy Atoms247
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003391.15
LogP ≤ 533.03
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid) with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide
CID 157201220
(3S)-7-amino-N-tert-butyl-6-methyl-4-oxo-3-(3-phenylpropanoylamino)heptanamide;2,2,2-trifluoroacetic acid
CID 160669854
(2S)-N'-tert-butyl-N-[3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]butanediamide
CID 129094805
(2R,5S)-6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)-4-oxo-5-(3-phenylpropanoylamino)hexanamide
CID 158584949
tert-butyl N-[(5S)-8-(tert-butylamino)-4,8-dioxo-5-(3-phenylpropanoylamino)octyl]carbamate
CID 158606646
tert-butyl (4R)-5-[[(2S)-1-(1H-indol-3-yl)-3-methoxy-1,3-dioxopropan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 135013320
(3S)-3-[[(2S)-5-naphthalen-1-yl-3-oxopentan-2-yl]carbamoyl]-5-oxo-7-phenylheptanoic acid
CID 160778155
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide
CID 110286296
(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 175691471
methyl (2S)-3-(1H-indol-3-yl)-2-[[5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-6-phenylhexanoyl]amino]propanoate
CID 67162195
(2S)-N-[(2S)-3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-N'-[(2-methylpropan-2-yl)oxy]-2-(3-phenylpropanoylamino)butanediamide
CID 91824176
2-[[2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetyl]amino]-N-(naphthalen-1-ylmethyl)propanamide
CID 144886365

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid) (CID 159483519) is 1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid) is CC(C)(C)NC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)CCCC(=O)CCc1cccc2ccccc12.CC(C)(C)OC(=O)CCCC(=O)CCc1cccc2ccccc12.C[C@@H](CC(=O)Cc1cccc2ccccc12)CC(=O)OC(C)(C)C.C[C@@H](CC(=O)Cc1cccc2ccccc12)CC(=O)[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1.C[C@H](N)CC(=O)Cc1cccc2ccccc12.C[C@H](NC(=O)C[C@H](CC(=O)NC(C)(C)C)NC(=O)C(=O)c1c[nH]c2ccccc12)C(=O)Cc1ccccc1.C[C@H](NC(=O)C[C@H](CC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)Cc1ccccc1.NCCC(=O)CCc1cccc2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is JMKYXXGFDJGQSC-WRLYNFCJSA-N. The full InChI is InChI=1S/2C33H40N2O4.C29H34N4O5.C28H37N3O4.2C21H26O3.2C15H17NO.2C2HF3O2/c1-23(19-27(36)21-26-15-10-14-25-13-8-9-16-28(25)26)20-30(37)29(22-32(39)35-33(2,3)4)34-31(38)18-17-24-11-6-5-7-12-24;1-33(2,3)35-32(39)23-29(34-31(38)22-19-24-11-5-4-6-12-24)30(37)18-10-16-27(36)21-20-26-15-9-14-25-13-7-8-17-28(25)26;1-18(24(34)14-19-10-6-5-7-11-19)31-25(35)15-20(16-26(36)33-29(2,3)4)32-28(38)27(37)22-17-30-23-13-9-8-12-21(22)23;1-20(24(32)17-22-13-9-6-10-14-22)29-26(34)18-23(19-27(35)31-28(2,3)4)30-25(33)16-15-21-11-7-5-8-12-21;1-15(13-20(23)24-21(2,3)4)12-18(22)14-17-10-7-9-16-8-5-6-11-19(16)17;1-21(2,3)24-20(23)13-7-11-18(22)15-14-17-10-6-9-16-8-4-5-12-19(16)17;1-11(16)9-14(17)10-13-7-4-6-12-5-2-3-8-15(12)13;16-11-10-14(17)9-8-13-6-3-5-12-4-1-2-7-15(12)13;2*3-2(4,5)1(6)7/h5-16,23,29H,17-22H2,1-4H3,(H,34,38)(H,35,39);4-9,11-15,17,29H,10,16,18-23H2,1-3H3,(H,34,38)(H,35,39);5-13,17-18,20,30H,14-16H2,1-4H3,(H,31,35)(H,32,38)(H,33,36);5-14,20,23H,15-19H2,1-4H3,(H,29,34)(H,30,33)(H,31,35);5-11,15H,12-14H2,1-4H3;4-6,8-10,12H,7,11,13-15H2,1-3H3;2-8,11H,9-10,16H2,1H3;1-7H,8-11,16H2;2*(H,6,7)/t23-,29-;29-;18-,20+;20-,23+;15-;;11-;;;/m00000.0.../s1.
What are the key properties of 1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid)?
1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 3391.15 g/mol, XLogP of 33.03, 72 rotatable bonds, 15 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-naphthalen-1-ylpentan-3-one;(4S)-4-amino-1-naphthalen-1-ylpentan-2-one;(3R)-N-tert-butyl-3-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]pentanediamide;(3S,6S)-N-tert-butyl-6-methyl-9-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)nonanamide;tert-butyl (3S)-3-methyl-6-naphthalen-1-yl-5-oxohexanoate;(3S)-N-tert-butyl-10-naphthalen-1-yl-4,8-dioxo-3-(3-phenylpropanoylamino)decanamide;tert-butyl 7-naphthalen-1-yl-5-oxoheptanoate;(3R)-N-tert-butyl-N'-[(2S)-3-oxo-4-phenylbutan-2-yl]-3-(3-phenylpropanoylamino)pentanediamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 159483519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).