7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+))

C157H236ClGd4N33O56S2+8 — CID 162281432

About 7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+))

7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+)) (PubChem CID 162281432) has the molecular formula C157H236ClGd4N33O56S2+8 and a molecular weight of 4210.38 g/mol. Its IUPAC name is 7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+)).

Molecular Properties

• Compound Name: 7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+))
• PubChem CID: 162281432
• Molecular Formula: C157H236ClGd4N33O56S2+8
• Molecular Weight: 4210.38 g/mol
• Exact Mass: 4210.27
• IUPAC Name: 7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+))
• SMILES: CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccc(O)c(Cl)c2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(NC(=O)C(CCC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(CCNC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)NC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSCCNC1=O.CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(CNC(=O)C(CCNC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)CC.[Gd+2].[Gd+2].[Gd+2].[Gd+2]
• InChI: InChI=1S/C83H123ClN18O31S2.C74H113N15O25.4Gd/c1-49(2)35-57-75(123)86-17-34-134-135-48-60(81(129)102-41-53(104)39-63(102)80(128)92-58(76(124)87-40-67(108)89-57)38-51-5-11-64(105)54(84)36-51)93-77(125)55(8-14-68(109)110)90-79(127)59(37-50-3-6-52(103)7-4-50)91-78(126)56(88-66(107)13-10-62(83(132)133)101-32-28-98(46-73(119)120)24-20-95(43-70(113)114)21-25-99(29-33-101)47-74(121)122)15-16-85-65(106)12-9-61(82(130)131)100-30-26-96(44-71(115)116)22-18-94(42-69(111)112)19-23-97(27-31-100)45-72(117)118;1-4-48(3)68(81-71(109)56(79-60(93)5-2)38-49-10-12-53(90)13-11-49)72(110)80-55(15-18-59(75)92)70(108)78-41-51-8-6-50(7-9-51)40-77-69(107)52(39-54(91)14-16-57(73(111)112)88-34-30-84(44-64(99)100)26-22-82(42-62(95)96)23-27-85(31-35-88)45-65(101)102)20-21-76-61(94)19-17-58(74(113)114)89-36-32-86(46-66(103)104)28-24-83(43-63(97)98)25-29-87(33-37-89)47-67(105)106;;;;/h3-7,11,36,49,53,55-63,103-105H,8-10,12-35,37-48H2,1-2H3,(H,85,106)(H,86,123)(H,87,124)(H,88,107)(H,89,108)(H,90,127)(H,91,126)(H,92,128)(H,93,125)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,130,131)(H,132,133);6-13,48,52,55-58,68,90H,4-5,14-47H2,1-3H3,(H2,75,92)(H,76,94)(H,77,107)(H,78,108)(H,79,93)(H,80,110)(H,81,109)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,111,112)(H,113,114);;;;/q;;4*+2/t53-,55?,56?,57+,58+,59+,60?,61?,62?,63+;48?,52?,55-,56-,57?,58?,68-;;;;/m10..../s1
• InChIKey: JORUTCKWSUKNRK-SKQBBVCVSA-N
• XLogP: -9.59
• TPSA: 1283.83 Ų
• H-Bond Donors: 37
• H-Bond Acceptors: 57
• Rotatable Bonds: 87
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4210.38
LogP ≤ 5	-9.59
H-Bond Donors ≤ 5	37
H-Bond Acceptors ≤ 10	57

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+))?

The IUPAC name of 7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+)) (CID 162281432) is 7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+)).

What is the SMILES notation for 7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+))?

The canonical SMILES for 7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+)) is CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccc(O)c(Cl)c2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)C(NC(=O)C(CCC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(CCNC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)NC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSCCNC1=O.CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(CNC(=O)C(CCNC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CC(=O)CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1)C(C)CC.[Gd+2].[Gd+2].[Gd+2].[Gd+2].

What is the InChIKey of 7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+))?

The InChIKey is JORUTCKWSUKNRK-SKQBBVCVSA-N. The full InChI is InChI=1S/C83H123ClN18O31S2.C74H113N15O25.4Gd/c1-49(2)35-57-75(123)86-17-34-134-135-48-60(81(129)102-41-53(104)39-63(102)80(128)92-58(76(124)87-40-67(108)89-57)38-51-5-11-64(105)54(84)36-51)93-77(125)55(8-14-68(109)110)90-79(127)59(37-50-3-6-52(103)7-4-50)91-78(126)56(88-66(107)13-10-62(83(132)133)101-32-28-98(46-73(119)120)24-20-95(43-70(113)114)21-25-99(29-33-101)47-74(121)122)15-16-85-65(106)12-9-61(82(130)131)100-30-26-96(44-71(115)116)22-18-94(42-69(111)112)19-23-97(27-31-100)45-72(117)118;1-4-48(3)68(81-71(109)56(79-60(93)5-2)38-49-10-12-53(90)13-11-49)72(110)80-55(15-18-59(75)92)70(108)78-41-51-8-6-50(7-9-51)40-77-69(107)52(39-54(91)14-16-57(73(111)112)88-34-30-84(44-64(99)100)26-22-82(42-62(95)96)23-27-85(31-35-88)45-65(101)102)20-21-76-61(94)19-17-58(74(113)114)89-36-32-86(46-66(103)104)28-24-83(43-63(97)98)25-29-87(33-37-89)47-67(105)106;;;;/h3-7,11,36,49,53,55-63,103-105H,8-10,12-35,37-48H2,1-2H3,(H,85,106)(H,86,123)(H,87,124)(H,88,107)(H,89,108)(H,90,127)(H,91,126)(H,92,128)(H,93,125)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,130,131)(H,132,133);6-13,48,52,55-58,68,90H,4-5,14-47H2,1-3H3,(H2,75,92)(H,76,94)(H,77,107)(H,78,108)(H,79,93)(H,80,110)(H,81,109)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,111,112)(H,113,114);;;;/q;;4*+2/t53-,55?,56?,57+,58+,59+,60?,61?,62?,63+;48?,52?,55-,56-,57?,58?,68-;;;;/m10..../s1.

What are the key properties of 7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+))?

7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+)) has a molecular weight of 4210.38 g/mol, XLogP of -9.59, 87 rotatable bonds, 37 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(propanoylamino)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]methyl]phenyl]methylcarbamoyl]-9-[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-5-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]nonanoic acid;4-[[(2S)-2-[2,4-bis[[4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]butanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[(11S,17S,20S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-3-yl]amino]-5-oxopentanoic acid;tetrakis(gadolinium(2+)) is sourced from PubChem (CID 162281432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).