(4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate

C275H415Cl2Gd6N59O85S4 — CID 159830593

About (4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate

(4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate (PubChem CID 159830593) has the molecular formula C275H415Cl2Gd6N59O85S4 and a molecular weight of 7050.35 g/mol. Its IUPAC name is (4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate.

Molecular Properties

• Compound Name: (4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate
• PubChem CID: 159830593
• Molecular Formula: C275H415Cl2Gd6N59O85S4
• Molecular Weight: 7050.35 g/mol
• Exact Mass: 7049.37
• IUPAC Name: (4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate
• SMILES: CCC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(CNC(=O)[C@H](CCNC(=O)CCC(C(=O)OC)N2CCN(CC(=O)OC)CCN(CC(=O)OC)CCN(CC(=O)OC)CC2)NC(=O)CCC(C(=O)OC)N2CCN(CC(=O)OC)CCN(CC(=O)OC)CCN(CC(=O)OC)CC2)cc1.COC(=O)CN1CCN(CC(=O)OC)CCN(C(CCC(=O)NCC[C@H](NC(=O)CCC(C(=O)OC)N2CCN(CC(=O)OC)CCN(CC(=O)O)CCN(CC(=O)OC)CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C)Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc3ccc(O)c(Cl)c3)NC(=O)C3C[C@@H](O)CN3C2=O)C(=O)OC)CCN(CC(=O)OC)CC1.COC(=O)CN1CCN(CC(=O)OC)CCN(C(CCC(=O)NCC[C@H](NC(=O)CCC(C(=O)OC)N2CCN(CC(=O)OC)CCN(CC(=O)O)CCN(CC(=O)OC)CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C)Cc3c[nH]cn3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)c(Cl)c3)NC(=O)C3CC(O)CN3C2=O)C(=O)OC)CCN(CC(=O)OC)CC1.[Gd].[Gd].[Gd].[Gd].[Gd].[Gd]
• InChI: InChI=1S/C104H150ClN21O31S2.C100H148ClN23O31S2.C71H117N15O23.6Gd/c1-63(2)45-76-98(144)116-79(100(146)110-64(3)46-66-51-107-72-17-13-11-15-69(66)72)61-158-159-62-80(102(148)126-54-68(127)50-83(126)101(147)115-77(95(141)109-53-87(131)112-76)48-65-19-23-84(128)71(105)47-65)117-96(142)74(20-26-88(132)133)113-99(145)78(49-67-52-108-73-18-14-12-16-70(67)73)114-97(143)75(111-86(130)25-22-82(104(150)157-10)125-43-37-120(57-91(137)152-5)31-29-118(55-89(134)135)30-32-121(38-44-125)58-92(138)153-6)27-28-106-85(129)24-21-81(103(149)156-9)124-41-39-122(59-93(139)154-7)35-33-119(56-90(136)151-4)34-36-123(40-42-124)60-94(140)155-8;1-61(2)40-70-91(139)114-75(96(144)107-62(3)41-65-48-102-59-105-65)57-156-157-58-76(98(146)124-50-67(125)46-79(124)97(145)113-72(44-64-16-19-80(126)68(101)42-64)93(141)112-74(47-83(129)130)95(143)109-70)115-94(142)73(45-66-49-103-60-106-66)111-92(140)71(43-63-14-12-11-13-15-63)110-90(138)69(108-82(128)21-18-78(100(148)155-10)123-38-32-118(53-86(134)150-5)26-24-116(51-84(131)132)25-27-119(33-39-123)54-87(135)151-6)22-23-104-81(127)20-17-77(99(147)154-9)122-36-34-120(55-88(136)152-7)30-28-117(52-85(133)149-4)29-31-121(35-37-122)56-89(137)153-8;1-12-49(2)66(76-50(3)87)69(99)78-53(17-20-57(72)88)67(97)74-41-51-13-15-52(16-14-51)42-75-68(98)54(77-59(90)22-19-56(71(101)109-11)86-39-35-83(47-64(95)106-8)31-27-80(44-61(92)103-5)28-32-84(36-40-86)48-65(96)107-9)23-24-73-58(89)21-18-55(70(100)108-10)85-37-33-81(45-62(93)104-6)29-25-79(43-60(91)102-4)26-30-82(34-38-85)46-63(94)105-7;;;;;;/h11-19,23,47,51-52,63-64,68,74-83,107-108,127-128H,20-22,24-46,48-50,53-62H2,1-10H3,(H,106,129)(H,109,141)(H,110,146)(H,111,130)(H,112,131)(H,113,145)(H,114,143)(H,115,147)(H,116,144)(H,117,142)(H,132,133)(H,134,135);11-16,19,42,48-49,59-62,67,69-79,125-126H,17-18,20-41,43-47,50-58H2,1-10H3,(H,102,105)(H,103,106)(H,104,127)(H,107,144)(H,108,128)(H,109,143)(H,110,138)(H,111,140)(H,112,141)(H,113,145)(H,114,139)(H,115,142)(H,129,130)(H,131,132);13-16,49,53-56,66H,12,17-48H2,1-11H3,(H2,72,88)(H,73,89)(H,74,97)(H,75,98)(H,76,87)(H,77,90)(H,78,99);;;;;;/t64-,68-,74-,75+,76+,77+,78+,79+,80+,81?,82?,83?;62-,67?,69+,70+,71+,72+,73+,74+,75+,76+,77?,78?,79?;49?,53-,54-,55?,56?,66-;;;;;;/m110....../s1
• InChIKey: NNKJPEBVUVOEFY-LYVMKLAISA-N
• XLogP: -13.24
• TPSA: 1815.73 Ų
• H-Bond Donors: 39
• H-Bond Acceptors: 111
• Rotatable Bonds: 131
• Heavy Atoms: 431
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	7050.35
LogP ≤ 5	-13.24
H-Bond Donors ≤ 5	39
H-Bond Acceptors ≤ 10	111

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate?

The IUPAC name of (4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate (CID 159830593) is (4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate.

What is the SMILES notation for (4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate?

The canonical SMILES for (4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate is CCC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(CNC(=O)[C@H](CCNC(=O)CCC(C(=O)OC)N2CCN(CC(=O)OC)CCN(CC(=O)OC)CCN(CC(=O)OC)CC2)NC(=O)CCC(C(=O)OC)N2CCN(CC(=O)OC)CCN(CC(=O)OC)CCN(CC(=O)OC)CC2)cc1.COC(=O)CN1CCN(CC(=O)OC)CCN(C(CCC(=O)NCC[C@H](NC(=O)CCC(C(=O)OC)N2CCN(CC(=O)OC)CCN(CC(=O)O)CCN(CC(=O)OC)CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C)Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc3ccc(O)c(Cl)c3)NC(=O)C3C[C@@H](O)CN3C2=O)C(=O)OC)CCN(CC(=O)OC)CC1.COC(=O)CN1CCN(CC(=O)OC)CCN(C(CCC(=O)NCC[C@H](NC(=O)CCC(C(=O)OC)N2CCN(CC(=O)OC)CCN(CC(=O)O)CCN(CC(=O)OC)CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C)Cc3c[nH]cn3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccc(O)c(Cl)c3)NC(=O)C3CC(O)CN3C2=O)C(=O)OC)CCN(CC(=O)OC)CC1.[Gd].[Gd].[Gd].[Gd].[Gd].[Gd].

What is the InChIKey of (4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate?

The InChIKey is NNKJPEBVUVOEFY-LYVMKLAISA-N. The full InChI is InChI=1S/C104H150ClN21O31S2.C100H148ClN23O31S2.C71H117N15O23.6Gd/c1-63(2)45-76-98(144)116-79(100(146)110-64(3)46-66-51-107-72-17-13-11-15-69(66)72)61-158-159-62-80(102(148)126-54-68(127)50-83(126)101(147)115-77(95(141)109-53-87(131)112-76)48-65-19-23-84(128)71(105)47-65)117-96(142)74(20-26-88(132)133)113-99(145)78(49-67-52-108-73-18-14-12-16-70(67)73)114-97(143)75(111-86(130)25-22-82(104(150)157-10)125-43-37-120(57-91(137)152-5)31-29-118(55-89(134)135)30-32-121(38-44-125)58-92(138)153-6)27-28-106-85(129)24-21-81(103(149)156-9)124-41-39-122(59-93(139)154-7)35-33-119(56-90(136)151-4)34-36-123(40-42-124)60-94(140)155-8;1-61(2)40-70-91(139)114-75(96(144)107-62(3)41-65-48-102-59-105-65)57-156-157-58-76(98(146)124-50-67(125)46-79(124)97(145)113-72(44-64-16-19-80(126)68(101)42-64)93(141)112-74(47-83(129)130)95(143)109-70)115-94(142)73(45-66-49-103-60-106-66)111-92(140)71(43-63-14-12-11-13-15-63)110-90(138)69(108-82(128)21-18-78(100(148)155-10)123-38-32-118(53-86(134)150-5)26-24-116(51-84(131)132)25-27-119(33-39-123)54-87(135)151-6)22-23-104-81(127)20-17-77(99(147)154-9)122-36-34-120(55-88(136)152-7)30-28-117(52-85(133)149-4)29-31-121(35-37-122)56-89(137)153-8;1-12-49(2)66(76-50(3)87)69(99)78-53(17-20-57(72)88)67(97)74-41-51-13-15-52(16-14-51)42-75-68(98)54(77-59(90)22-19-56(71(101)109-11)86-39-35-83(47-64(95)106-8)31-27-80(44-61(92)103-5)28-32-84(36-40-86)48-65(96)107-9)23-24-73-58(89)21-18-55(70(100)108-10)85-37-33-81(45-62(93)104-6)29-25-79(43-60(91)102-4)26-30-82(34-38-85)46-63(94)105-7;;;;;;/h11-19,23,47,51-52,63-64,68,74-83,107-108,127-128H,20-22,24-46,48-50,53-62H2,1-10H3,(H,106,129)(H,109,141)(H,110,146)(H,111,130)(H,112,131)(H,113,145)(H,114,143)(H,115,147)(H,116,144)(H,117,142)(H,132,133)(H,134,135);11-16,19,42,48-49,59-62,67,69-79,125-126H,17-18,20-41,43-47,50-58H2,1-10H3,(H,102,105)(H,103,106)(H,104,127)(H,107,144)(H,108,128)(H,109,143)(H,110,138)(H,111,140)(H,112,141)(H,113,145)(H,114,139)(H,115,142)(H,129,130)(H,131,132);13-16,49,53-56,66H,12,17-48H2,1-11H3,(H2,72,88)(H,73,89)(H,74,97)(H,75,98)(H,76,87)(H,77,90)(H,78,99);;;;;;/t64-,68-,74-,75+,76+,77+,78+,79+,80+,81?,82?,83?;62-,67?,69+,70+,71+,72+,73+,74+,75+,76+,77?,78?,79?;49?,53-,54-,55?,56?,66-;;;;;;/m110....../s1.

What are the key properties of (4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate?

(4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate has a molecular weight of 7050.35 g/mol, XLogP of -13.24, 131 rotatable bonds, 39 hydrogen bond donors, and 111 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(3R,8R,11S,17S,22R)-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]carbamoyl]-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;2-[(3R,8R,11S,14S,17S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[4-[7-(carboxymethyl)-4,10-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]-5-methoxy-5-oxopentanoyl]amino]-4-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-17-[(3-chloro-4-hydroxyphenyl)methyl]-22-hydroxy-8-[[(2R)-1-(1H-imidazol-4-yl)propan-2-yl]carbamoyl]-11-(2-methylpropyl)-2,10,13,16,19-pentaoxo-5,6-dithia-1,9,12,15,18-pentazabicyclo[18.3.0]tricosan-14-yl]acetic acid;gadolinium;methyl 5-[[(3S)-4-[[4-[[[(2S)-2-[[(2S)-2-acetamido-3-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]methyl]phenyl]methylamino]-3-[[5-methoxy-5-oxo-4-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoyl]amino]-4-oxobutyl]amino]-5-oxo-2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate is sourced from PubChem (CID 159830593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).