trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane

C126H175Gd3N29Na3O37S2+ — CID 158793302

About trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane

trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane (PubChem CID 158793302) has the molecular formula C126H175Gd3N29Na3O37S2+ and a molecular weight of 3292.81 g/mol. Its IUPAC name is trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane.

Molecular Properties

• Compound Name: trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane
• PubChem CID: 158793302
• Molecular Formula: C126H175Gd3N29Na3O37S2+
• Molecular Weight: 3292.81 g/mol
• Exact Mass: 3292.96
• IUPAC Name: trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane
• SMILES: CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C1=N[C@H](C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CON3CCC[C@H]3C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNCOCCO/C=N/CCCC[C@H](C(=O)O)N3CCN(CC(=O)O)CC(C)(N(CC(=O)O)CC(=O)O)C3)C(N)=O)CC(=O)[O-])NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H]3CCCOC2=N3)CCCO1.CCC.[Gd].[Gd].[Gd].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C123H169N29O37S2.C3H8.3Gd.3Na/c1-69-108(171)138-86(35-37-101(160)161)111(174)143-92(61-153)116(179)140-91(50-75-54-130-82-28-13-10-25-79(75)82)115(178)148-106(70(2)154)119(182)142-88(47-72-21-6-5-7-22-72)113(176)144-93(63-190-191-64-94(121-147-84(109(172)134-69)30-19-44-188-121)145-110(173)85-31-20-43-187-120(146-85)87(34-36-97(124)156)139-114(177)89(135-71(3)155)48-73-52-128-80-26-11-8-23-77(73)80)117(180)141-90(49-74-53-129-81-27-12-9-24-78(74)81)112(175)136-76(51-102(162)163)62-189-152-40-18-33-95(152)118(181)133-56-99(158)131-55-98(157)132-57-100(159)137-83(107(125)170)29-14-16-38-126-67-185-45-46-186-68-127-39-17-15-32-96(122(183)184)150-42-41-149(58-103(164)165)65-123(4,66-150)151(59-104(166)167)60-105(168)169;1-3-2;;;;;;/h5-13,21-28,52-54,68-70,76,83-96,106,126,128-130,153-154H,14-20,29-51,55-67H2,1-4H3,(H2,124,156)(H2,125,170)(H,131,158)(H,132,157)(H,133,181)(H,134,172)(H,135,155)(H,136,175)(H,137,159)(H,138,171)(H,139,177)(H,140,179)(H,141,180)(H,142,182)(H,143,174)(H,144,176)(H,145,173)(H,148,178)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,183,184);3H2,1-2H3;;;;;;/q;;;;;3*+1/p-2/b127-68+;;;;;;;/t69-,70?,76-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96+,106-,123?;;;;;;;/m0......./s1
• InChIKey: DKSBWSSKWSISAY-XRELSDECSA-L
• XLogP: -15.41
• TPSA: 977.29 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 43
• Rotatable Bonds: 65
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3292.81
LogP ≤ 5	-15.41
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane?

The IUPAC name of trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane (CID 158793302) is trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane.

What is the SMILES notation for trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane?

The canonical SMILES for trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane is CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C1=N[C@H](C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](CON3CCC[C@H]3C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNCOCCO/C=N/CCCC[C@H](C(=O)O)N3CCN(CC(=O)O)CC(C)(N(CC(=O)O)CC(=O)O)C3)C(N)=O)CC(=O)[O-])NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H]3CCCOC2=N3)CCCO1.CCC.[Gd].[Gd].[Gd].[Na+].[Na+].[Na+].

What is the InChIKey of trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane?

The InChIKey is DKSBWSSKWSISAY-XRELSDECSA-L. The full InChI is InChI=1S/C123H169N29O37S2.C3H8.3Gd.3Na/c1-69-108(171)138-86(35-37-101(160)161)111(174)143-92(61-153)116(179)140-91(50-75-54-130-82-28-13-10-25-79(75)82)115(178)148-106(70(2)154)119(182)142-88(47-72-21-6-5-7-22-72)113(176)144-93(63-190-191-64-94(121-147-84(109(172)134-69)30-19-44-188-121)145-110(173)85-31-20-43-187-120(146-85)87(34-36-97(124)156)139-114(177)89(135-71(3)155)48-73-52-128-80-26-11-8-23-77(73)80)117(180)141-90(49-74-53-129-81-27-12-9-24-78(74)81)112(175)136-76(51-102(162)163)62-189-152-40-18-33-95(152)118(181)133-56-99(158)131-55-98(157)132-57-100(159)137-83(107(125)170)29-14-16-38-126-67-185-45-46-186-68-127-39-17-15-32-96(122(183)184)150-42-41-149(58-103(164)165)65-123(4,66-150)151(59-104(166)167)60-105(168)169;1-3-2;;;;;;/h5-13,21-28,52-54,68-70,76,83-96,106,126,128-130,153-154H,14-20,29-51,55-67H2,1-4H3,(H2,124,156)(H2,125,170)(H,131,158)(H,132,157)(H,133,181)(H,134,172)(H,135,155)(H,136,175)(H,137,159)(H,138,171)(H,139,177)(H,140,179)(H,141,180)(H,142,182)(H,143,174)(H,144,176)(H,145,173)(H,148,178)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H,183,184);3H2,1-2H3;;;;;;/q;;;;;3*+1/p-2/b127-68+;;;;;;;/t69-,70?,76-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96+,106-,123?;;;;;;;/m0......./s1.

What are the key properties of trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane?

trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane has a molecular weight of 3292.81 g/mol, XLogP of -15.41, 65 rotatable bonds, 28 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for trisodium;(3S)-3-[[(2S)-2-[[(1S,4S,7S,10S,13S,16S,19S,22R,27R)-27-[[(4S)-2-[(1S)-1-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutyl]-4,5,6,7-tetrahydro-1,3-oxazepine-4-carbonyl]amino]-19-benzyl-7-(2-carboxylatoethyl)-16-(1-hydroxyethyl)-10-(hydroxymethyl)-13-(1H-indol-3-ylmethyl)-4-methyl-2,5,8,11,14,17,20-heptaoxo-29-oxa-24,25-dithia-3,6,9,12,15,18,21,33-octazabicyclo[26.4.1]tritriacont-28(33)-ene-22-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-[(2S)-2-[[2-[[2-[[2-[[(2S)-1-amino-6-[2-[[(5R)-5-[6-[bis(carboxymethyl)amino]-4-(carboxymethyl)-6-methyl-1,4-diazepan-1-yl]-5-carboxypentyl]iminomethoxy]ethoxymethylamino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]oxybutanoate;gadolinium;propane is sourced from PubChem (CID 158793302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).