[4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid

C105H140AtBrFI2N19O39 — CID 158191084

IUPAC[4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid
SMILESCC(=O)[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc(CN=C(N)N)c([123I])c1)C(=O)O.CC(=O)[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc(CN=C(N)N)c([131I])c1)C(=O)O.CC(=O)[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc(CN=C(N)N)c([77Br])c1)C(=O)O.CC(=O)[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc([211At])cc1)C(=O)O.C[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc([18F])cc1)OC=O
InChIInChI=1S/C22H30BrN5O8.2C22H30IN5O8.C20H25AtN2O8.C19H25FN2O7/c3*1-12(29)16(7-8-18(30)31)28-22(35)36-17(20(33)34)4-2-3-9-26-19(32)13-5-6-14(15(23)10-13)11-27-21(24)25;1-12(24)15(9-10-17(25)26)23-20(30)31-16(19(28)29)4-2-3-11-22-18(27)13-5-7-14(21)8-6-13;1-13(5-10-16(24)25)22-19(27)29-17(28-12-23)4-2-3-11-21-18(26)14-6-8-15(20)9-7-14/h3*5-6,10,16-17H,2-4,7-9,11H2,1H3,(H,26,32)(H,28,35)(H,30,31)(H,33,34)(H4,24,25,27);5-8,15-16H,2-4,9-11H2,1H3,(H,22,27)(H,23,30)(H,25,26)(H,28,29);6-9,12-13,17H,2-5,10-11H2,1H3,(H,21,26)(H,22,27)(H,24,25)/t3*16-,17-;15-,16-;13-,17+/m00001/s1/i23-3;23+4;23-4;21+1;20-1
InChIKeyFZTKBNROFFHVDN-YIVVIILXSA-N
MW2852.09 g/mol
LogP6.02
Rot. Bonds71

About [4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid

[4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid (PubChem CID 158191084) has the molecular formula C105H140AtBrFI2N19O39 and a molecular weight of 2852.09 g/mol. Its IUPAC name is [4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid.

Molecular Properties

Compound Name[4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid
PubChem CID158191084
Molecular FormulaC105H140AtBrFI2N19O39
Molecular Weight2852.09 g/mol
Exact Mass2850.68
IUPAC Name[4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid
SMILESCC(=O)[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc(CN=C(N)N)c([123I])c1)C(=O)O.CC(=O)[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc(CN=C(N)N)c([131I])c1)C(=O)O.CC(=O)[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc(CN=C(N)N)c([77Br])c1)C(=O)O.CC(=O)[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc([211At])cc1)C(=O)O.C[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc([18F])cc1)OC=O
InChIInChI=1S/C22H30BrN5O8.2C22H30IN5O8.C20H25AtN2O8.C19H25FN2O7/c3*1-12(29)16(7-8-18(30)31)28-22(35)36-17(20(33)34)4-2-3-9-26-19(32)13-5-6-14(15(23)10-13)11-27-21(24)25;1-12(24)15(9-10-17(25)26)23-20(30)31-16(19(28)29)4-2-3-11-22-18(27)13-5-7-14(21)8-6-13;1-13(5-10-16(24)25)22-19(27)29-17(28-12-23)4-2-3-11-21-18(26)14-6-8-15(20)9-7-14/h3*5-6,10,16-17H,2-4,7-9,11H2,1H3,(H,26,32)(H,28,35)(H,30,31)(H,33,34)(H4,24,25,27);5-8,15-16H,2-4,9-11H2,1H3,(H,22,27)(H,23,30)(H,25,26)(H,28,29);6-9,12-13,17H,2-5,10-11H2,1H3,(H,21,26)(H,22,27)(H,24,25)/t3*16-,17-;15-,16-;13-,17+/m00001/s1/i23-3;23+4;23-4;21+1;20-1
InChIKeyFZTKBNROFFHVDN-YIVVIILXSA-N
XLogP6.02
TPSA960.63 Ų
H-Bond Donors25
H-Bond Acceptors33
Rotatable Bonds71
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002852.09
LogP ≤ 56.02
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(1S)-3-[(4-fluorobenzoyl)amino]-1-formyloxypropoxy]carbonylamino]pentanedioic acid
CID 154619041
(2S)-2-[5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentylcarbamoylamino]pentanedioic acid
CID 154599883
(2S)-2-[[(1S)-1-formyloxy-5-(naphthalene-2-carbonylamino)pentoxy]carbonylamino]pentanedioic acid
CID 154619061
(2S)-2-[[(1S)-5-[[4-(2-fluoroethylsulfanyl)benzoyl]amino]-1-formyloxypentoxy]carbonylamino]pentanedioic acid
CID 149314116
(2S)-2-[[(1S)-1-carboxy-5-[(4-methylbenzoyl)amino]pentyl]carbamoyloxy]pentanedioic acid
CID 145069158
(2S)-2-[[(1S)-1-carboxy-5-[[8-[[1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-methylbenzoyl]amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;(2S)-2-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-methylbenzoyl]amino]pentyl]carbamoylamino]pentanedioic acid;molecular hydrogen
CID 163863832
(2S)-2-[[1-carboxy-5-[[8-[[1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentyl]amino]-8-oxooctanoyl]amino]pentyl]carbamoylamino]pentanedioic acid
CID 145300751
N-[6-amino-5-(hydroxyamino)-6-oxohexyl]-4-fluorobenzamide
CID 89197972
(4S)-4-[[(1S)-1-carboxy-5-[(4-methylbenzoyl)amino]pentyl]carbamoylamino]-5-oxohexanoic acid
CID 163560118
(4S)-4-[[(1S)-1-carboxy-5-[(2-fluoro-4-methylbenzoyl)amino]pentyl]carbamoyloxy]-5-oxohexanoic acid
CID 163410513
2-[[5-carboxy-5-[(4-fluorobenzoyl)amino]pentyl]carbamoylamino]pentanedioic acid
CID 67178458
tetrakis(carbon dioxide);2-[[4-[5-[[(2R)-4-carboxybutan-2-yl]carbamoyloxy]pentylamino]-4-oxobutanoyl]amino]-6-[(4-(131I)iodobenzoyl)amino]hexanoic acid;2-[[4-[5-[[(2R)-4-carboxybutan-2-yl]carbamoyloxy]pentylamino]-4-oxobutanoyl]amino]-6-[(5-(125I)iodopyridine-3-carbonyl)amino]hexanoic acid;[5-[[5-carboxy-5-[[4-[5-[[(2R)-4-carboxybutan-2-yl]carbamoyloxy]pentylamino]-4-oxobutanoyl]amino]pentyl]carbamoyl]-3-pyridinyl](211At)astatine-211;(2S)-2-[5-[[4-[[1-carboxy-5-[(5-(131I)iodopyridine-3-carbonyl)amino]pentyl]amino]-4-oxobutanoyl]amino]pentoxycarbonylamino]pentanedioic acid
CID 158510467

Frequently Asked Questions

What is the IUPAC name of [4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid?
The IUPAC name of [4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid (CID 158191084) is [4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid.
What is the SMILES notation for [4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid?
The canonical SMILES for [4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid is CC(=O)[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc(CN=C(N)N)c([123I])c1)C(=O)O.CC(=O)[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc(CN=C(N)N)c([131I])c1)C(=O)O.CC(=O)[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc(CN=C(N)N)c([77Br])c1)C(=O)O.CC(=O)[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc([211At])cc1)C(=O)O.C[C@H](CCC(=O)O)NC(=O)O[C@@H](CCCCNC(=O)c1ccc([18F])cc1)OC=O.
What is the InChIKey of [4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid?
The InChIKey is FZTKBNROFFHVDN-YIVVIILXSA-N. The full InChI is InChI=1S/C22H30BrN5O8.2C22H30IN5O8.C20H25AtN2O8.C19H25FN2O7/c3*1-12(29)16(7-8-18(30)31)28-22(35)36-17(20(33)34)4-2-3-9-26-19(32)13-5-6-14(15(23)10-13)11-27-21(24)25;1-12(24)15(9-10-17(25)26)23-20(30)31-16(19(28)29)4-2-3-11-22-18(27)13-5-7-14(21)8-6-13;1-13(5-10-16(24)25)22-19(27)29-17(28-12-23)4-2-3-11-21-18(26)14-6-8-15(20)9-7-14/h3*5-6,10,16-17H,2-4,7-9,11H2,1H3,(H,26,32)(H,28,35)(H,30,31)(H,33,34)(H4,24,25,27);5-8,15-16H,2-4,9-11H2,1H3,(H,22,27)(H,23,30)(H,25,26)(H,28,29);6-9,12-13,17H,2-5,10-11H2,1H3,(H,21,26)(H,22,27)(H,24,25)/t3*16-,17-;15-,16-;13-,17+/m00001/s1/i23-3;23+4;23-4;21+1;20-1.
What are the key properties of [4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid?
[4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid has a molecular weight of 2852.09 g/mol, XLogP of 6.02, 71 rotatable bonds, 25 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5S)-5-carboxy-5-[[(3S)-1-carboxy-4-oxopentan-3-yl]carbamoyloxy]pentyl]carbamoyl]phenyl](211At)astatine-211;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(123I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[4-[(diaminomethylideneamino)methyl]-3-(131I)iodobenzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4S)-4-[[(1S)-1-carboxy-5-[[3-(77Br)bromo-4-[(diaminomethylideneamino)methyl]benzoyl]amino]pentoxy]carbonylamino]-5-oxohexanoic acid;(4R)-4-[[(1S)-5-[(4-(18F)fluorobenzoyl)amino]-1-formyloxypentoxy]carbonylamino]pentanoic acid is sourced from PubChem (CID 158191084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).