1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid

C112H140N20O20 — CID 161091613

IUPAC1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid
SMILESNC(CC(=O)NC(Cc1cccnc1)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O)Cc1ccccc1.NC(Cc1cccnc1)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CC(=O)O)Cc1ccccc1.O=C(CC(Cc1ccccc1)NC(=O)C1CCCN1)NC(Cc1cccnc1)C(=O)N1CCCC1C(=O)O.O=C(CC(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C1CCCN1)NC(Cc1cccnc1)C(=O)O
InChIInChI=1S/4C28H35N5O5/c29-22(16-20-9-4-12-30-18-20)27(37)33-14-6-11-24(33)28(38)32-13-5-10-23(32)26(36)31-21(17-25(34)35)15-19-7-2-1-3-8-19;29-21(15-19-7-2-1-3-8-19)17-25(34)31-22(16-20-9-4-12-30-18-20)26(35)32-13-5-10-23(32)27(36)33-14-6-11-24(33)28(37)38;34-25(32-23(28(37)38)16-20-9-4-12-29-18-20)17-21(15-19-7-2-1-3-8-19)31-26(35)24-11-6-14-33(24)27(36)22-10-5-13-30-22;34-25(17-21(15-19-7-2-1-3-8-19)31-26(35)22-10-5-13-30-22)32-23(16-20-9-4-12-29-18-20)27(36)33-14-6-11-24(33)28(37)38/h1-4,7-9,12,18,21-24H,5-6,10-11,13-17,29H2,(H,31,36)(H,34,35);1-4,7-9,12,18,21-24H,5-6,10-11,13-17,29H2,(H,31,34)(H,37,38);2*1-4,7-9,12,18,21-24,30H,5-6,10-11,13-17H2,(H,31,35)(H,32,34)(H,37,38)
InChIKeyUHGGKFGIVLLBIT-UHFFFAOYSA-N
MW2086.47 g/mol
LogP4.38
Rot. Bonds42

About 1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid

1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid (PubChem CID 161091613) has the molecular formula C112H140N20O20 and a molecular weight of 2086.47 g/mol. Its IUPAC name is 1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid
PubChem CID161091613
Molecular FormulaC112H140N20O20
Molecular Weight2086.47 g/mol
Exact Mass2085.06
IUPAC Name1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid
SMILESNC(CC(=O)NC(Cc1cccnc1)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O)Cc1ccccc1.NC(Cc1cccnc1)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CC(=O)O)Cc1ccccc1.O=C(CC(Cc1ccccc1)NC(=O)C1CCCN1)NC(Cc1cccnc1)C(=O)N1CCCC1C(=O)O.O=C(CC(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C1CCCN1)NC(Cc1cccnc1)C(=O)O
InChIInChI=1S/4C28H35N5O5/c29-22(16-20-9-4-12-30-18-20)27(37)33-14-6-11-24(33)28(38)32-13-5-10-23(32)26(36)31-21(17-25(34)35)15-19-7-2-1-3-8-19;29-21(15-19-7-2-1-3-8-19)17-25(34)31-22(16-20-9-4-12-30-18-20)26(35)32-13-5-10-23(32)27(36)33-14-6-11-24(33)28(37)38;34-25(32-23(28(37)38)16-20-9-4-12-29-18-20)17-21(15-19-7-2-1-3-8-19)31-26(35)24-11-6-14-33(24)27(36)22-10-5-13-30-22;34-25(17-21(15-19-7-2-1-3-8-19)31-26(35)22-10-5-13-30-22)32-23(16-20-9-4-12-29-18-20)27(36)33-14-6-11-24(33)28(37)38/h1-4,7-9,12,18,21-24H,5-6,10-11,13-17,29H2,(H,31,36)(H,34,35);1-4,7-9,12,18,21-24H,5-6,10-11,13-17,29H2,(H,31,34)(H,37,38);2*1-4,7-9,12,18,21-24,30H,5-6,10-11,13-17H2,(H,31,35)(H,32,34)(H,37,38)
InChIKeyUHGGKFGIVLLBIT-UHFFFAOYSA-N
XLogP4.38
TPSA573.32 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002086.47
LogP ≤ 54.38
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Analyze 1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid with MolForge

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Related Compounds

Pwgf(CH2NH)wwfw
CID 44302261
(2R)-2-[[4-[[2-[2-[[2-[[1,7-bis[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-2-oxoethyl]-[2-[[1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-2-oxoethyl]amino]ethyl-[2-[[1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-2-oxoethyl]amino]acetyl]amino]-7-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 145948579
(2R)-2-[[4-[[2-[[2-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-2-oxoethyl]-[2-[[1,7-bis[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-2-oxoethyl]amino]acetyl]amino]-7-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 145949043
H-Lys-Lys-Trp-Trp-Lys-Trp-Trp-Lys-Lys-Trp-OH
CID 44272716
H-Lys-Leu-Trp-Lys-Lys-Trp-Ala-Lys-Lys-Trp-Leu-Lys-Leu-Trp-Lys-Ala-Trp-OH
CID 44272827
H-Lys-Trp-Lys-Trp-Lys-Trp-Lys-Trp-Lys-Trp-OH
CID 71625332
(2R)-2-[[4-[[2-[bis[2-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-2-oxoethyl]amino]acetyl]amino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129903474
(2R)-2-[[4-[[2-[2-[bis[2-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-2-oxoethyl]amino]ethyl-[2-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-2-oxoethyl]amino]acetyl]amino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129903475
(2R)-2-[[4-[[2-[2-[bis[2-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-2-oxoethyl]amino]ethyl-[2-[2-[bis[2-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-2-oxoethyl]amino]ethyl-[2-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-2-oxoethyl]amino]ethyl]amino]acetyl]amino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129903477
(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 158437820
bis((3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid);bis(2,2,2-trifluoroacetic acid)
CID 158469608
(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(carbamoylamino)butanoyl]amino]-4-phenylbutanoic acid;(3R)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-phenylpentanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid;(3S)-3-[[(2S)-2-[[(3S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-4-ylpropanoyl]amino]-4-phenylbutanoic acid;tetrakis(2,2,2-trifluoroacetic acid)
CID 158974321

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid (CID 161091613) is 1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid is NC(CC(=O)NC(Cc1cccnc1)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)O)Cc1ccccc1.NC(Cc1cccnc1)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CC(=O)O)Cc1ccccc1.O=C(CC(Cc1ccccc1)NC(=O)C1CCCN1)NC(Cc1cccnc1)C(=O)N1CCCC1C(=O)O.O=C(CC(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C1CCCN1)NC(Cc1cccnc1)C(=O)O.
What is the InChIKey of 1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid?
The InChIKey is UHGGKFGIVLLBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C28H35N5O5/c29-22(16-20-9-4-12-30-18-20)27(37)33-14-6-11-24(33)28(38)32-13-5-10-23(32)26(36)31-21(17-25(34)35)15-19-7-2-1-3-8-19;29-21(15-19-7-2-1-3-8-19)17-25(34)31-22(16-20-9-4-12-30-18-20)26(35)32-13-5-10-23(32)27(36)33-14-6-11-24(33)28(37)38;34-25(32-23(28(37)38)16-20-9-4-12-29-18-20)17-21(15-19-7-2-1-3-8-19)31-26(35)24-11-6-14-33(24)27(36)22-10-5-13-30-22;34-25(17-21(15-19-7-2-1-3-8-19)31-26(35)22-10-5-13-30-22)32-23(16-20-9-4-12-29-18-20)27(36)33-14-6-11-24(33)28(37)38/h1-4,7-9,12,18,21-24H,5-6,10-11,13-17,29H2,(H,31,36)(H,34,35);1-4,7-9,12,18,21-24H,5-6,10-11,13-17,29H2,(H,31,34)(H,37,38);2*1-4,7-9,12,18,21-24,30H,5-6,10-11,13-17H2,(H,31,35)(H,32,34)(H,37,38).
What are the key properties of 1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid?
1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid has a molecular weight of 2086.47 g/mol, XLogP of 4.38, 42 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(3-amino-4-phenylbutanoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid;3-[[1-[1-(2-amino-3-pyridin-3-ylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid;1-[2-[[4-phenyl-3-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxylic acid;2-[[4-phenyl-3-[[1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoyl]amino]-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 161091613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).