[4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine

C197H270Cl3N17O42P4 — CID 157246648

About [4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine

[4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine (PubChem CID 157246648) has the molecular formula C197H270Cl3N17O42P4 and a molecular weight of 3779.67 g/mol. Its IUPAC name is [4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine.

Molecular Properties

• Compound Name: [4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine
• PubChem CID: 157246648
• Molecular Formula: C197H270Cl3N17O42P4
• Molecular Weight: 3779.67 g/mol
• Exact Mass: 3775.76
• IUPAC Name: [4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine
• SMILES: C1CCNC1.C=CCOC(=O)N[C@@H](CCCCNC)C(=O)Cc1ccc(COC(=O)Cc2cc(OCCCCCC(=O)N3C[C@@H](CCl)c4c3cc(OP(=O)(OC(C)(C)C)OC(C)(C)C)c3ccccc43)c(C)cc2C(=O)N2CCC[C@H]2CO)cc1.C=CCOC(=O)N[C@@H](CCCCNC)C(=O)Cc1ccc(COC(=O)N2c3cc(OCCCCCC(=O)N4C[C@@H](CCl)c5c4cc(OP(=O)(OC(C)(C)C)OC(C)(C)C)c4ccccc54)c(C)cc3C(=O)N3CCC[C@H]3C2O)cc1.CNCCCC[C@H](N)C(=O)Cc1ccc(COC(=O)N2c3cc(OCCCCCC(=O)N4C[C@@H](CCl)c5c4cc(OP(=O)(OC(C)(C)C)OC(C)(C)C)c4ccccc54)c(C)cc3C(=O)N3CCC[C@H]3C2O)cc1.O=C1C=CC(=O)N1CCCCCNC(=O)C1(C(=O)O)CCC1.[2H]CP
• InChI: InChI=1S/C61H82ClN4O13P.C60H79ClN5O13P.C56H75ClN5O11P.C15H20N2O5.C4H9N.CH5P/c1-10-30-75-59(72)64-50(22-15-16-28-63-9)52(68)33-42-24-26-43(27-25-42)40-76-56(70)35-44-34-53(41(2)32-49(44)58(71)65-29-18-19-46(65)39-67)74-31-17-11-12-23-55(69)66-38-45(37-62)57-48-21-14-13-20-47(48)54(36-51(57)66)77-80(73,78-60(3,4)5)79-61(6,7)8;1-10-30-75-57(71)63-46(21-15-16-28-62-9)50(67)33-40-24-26-41(27-25-40)38-76-58(72)66-48-34-51(39(2)32-45(48)55(69)64-29-18-22-47(64)56(66)70)74-31-17-11-12-23-53(68)65-37-42(36-61)54-44-20-14-13-19-43(44)52(35-49(54)65)77-80(73,78-59(3,4)5)79-60(6,7)8;1-36-29-42-45(62(53(66)44-20-16-27-60(44)52(42)65)54(67)70-35-38-24-22-37(23-25-38)30-47(63)43(58)19-13-14-26-59-8)31-48(36)69-28-15-9-10-21-50(64)61-34-39(33-57)51-41-18-12-11-17-40(41)49(32-46(51)61)71-74(68,72-55(2,3)4)73-56(5,6)7;18-11-5-6-12(19)17(11)10-3-1-2-9-16-13(20)15(14(21)22)7-4-8-15;1-2-4-5-3-1;1-2/h10,13-14,20-21,24-27,32,34,36,45-46,50,63,67H,1,11-12,15-19,22-23,28-31,33,35,37-40H2,2-9H3,(H,64,72);10,13-14,19-20,24-27,32,34-35,42,46-47,56,62,70H,1,11-12,15-18,21-23,28-31,33,36-38H2,2-9H3,(H,63,71);11-12,17-18,22-25,29,31-32,39,43-44,53,59,66H,9-10,13-16,19-21,26-28,30,33-35,58H2,1-8H3;5-6H,1-4,7-10H2,(H,16,20)(H,21,22);5H,1-4H2;2H2,1H3/t45-,46+,50+;42-,46+,47+,56?;39-,43+,44+,53?;;;/m111.../s1/i;;;;;1D
• InChIKey: AVVUCZUHQQYWKS-YQVMSTJSSA-N
• XLogP: 34.47
• TPSA: 735.69 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 46
• Rotatable Bonds: 84
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3779.67
LogP ≤ 5	34.47
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine?

The IUPAC name of [4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine (CID 157246648) is [4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine.

What is the SMILES notation for [4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine?

The canonical SMILES for [4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine is C1CCNC1.C=CCOC(=O)N[C@@H](CCCCNC)C(=O)Cc1ccc(COC(=O)Cc2cc(OCCCCCC(=O)N3C[C@@H](CCl)c4c3cc(OP(=O)(OC(C)(C)C)OC(C)(C)C)c3ccccc43)c(C)cc2C(=O)N2CCC[C@H]2CO)cc1.C=CCOC(=O)N[C@@H](CCCCNC)C(=O)Cc1ccc(COC(=O)N2c3cc(OCCCCCC(=O)N4C[C@@H](CCl)c5c4cc(OP(=O)(OC(C)(C)C)OC(C)(C)C)c4ccccc54)c(C)cc3C(=O)N3CCC[C@H]3C2O)cc1.CNCCCC[C@H](N)C(=O)Cc1ccc(COC(=O)N2c3cc(OCCCCCC(=O)N4C[C@@H](CCl)c5c4cc(OP(=O)(OC(C)(C)C)OC(C)(C)C)c4ccccc54)c(C)cc3C(=O)N3CCC[C@H]3C2O)cc1.O=C1C=CC(=O)N1CCCCCNC(=O)C1(C(=O)O)CCC1.[2H]CP.

What is the InChIKey of [4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine?

The InChIKey is AVVUCZUHQQYWKS-YQVMSTJSSA-N. The full InChI is InChI=1S/C61H82ClN4O13P.C60H79ClN5O13P.C56H75ClN5O11P.C15H20N2O5.C4H9N.CH5P/c1-10-30-75-59(72)64-50(22-15-16-28-63-9)52(68)33-42-24-26-43(27-25-42)40-76-56(70)35-44-34-53(41(2)32-49(44)58(71)65-29-18-19-46(65)39-67)74-31-17-11-12-23-55(69)66-38-45(37-62)57-48-21-14-13-20-47(48)54(36-51(57)66)77-80(73,78-60(3,4)5)79-61(6,7)8;1-10-30-75-57(71)63-46(21-15-16-28-62-9)50(67)33-40-24-26-41(27-25-40)38-76-58(72)66-48-34-51(39(2)32-45(48)55(69)64-29-18-22-47(64)56(66)70)74-31-17-11-12-23-53(68)65-37-42(36-61)54-44-20-14-13-19-43(44)52(35-49(54)65)77-80(73,78-59(3,4)5)79-60(6,7)8;1-36-29-42-45(62(53(66)44-20-16-27-60(44)52(42)65)54(67)70-35-38-24-22-37(23-25-38)30-47(63)43(58)19-13-14-26-59-8)31-48(36)69-28-15-9-10-21-50(64)61-34-39(33-57)51-41-18-12-11-17-40(41)49(32-46(51)61)71-74(68,72-55(2,3)4)73-56(5,6)7;18-11-5-6-12(19)17(11)10-3-1-2-9-16-13(20)15(14(21)22)7-4-8-15;1-2-4-5-3-1;1-2/h10,13-14,20-21,24-27,32,34,36,45-46,50,63,67H,1,11-12,15-19,22-23,28-31,33,35,37-40H2,2-9H3,(H,64,72);10,13-14,19-20,24-27,32,34-35,42,46-47,56,62,70H,1,11-12,15-18,21-23,28-31,33,36-38H2,2-9H3,(H,63,71);11-12,17-18,22-25,29,31-32,39,43-44,53,59,66H,9-10,13-16,19-21,26-28,30,33-35,58H2,1-8H3;5-6H,1-4,7-10H2,(H,16,20)(H,21,22);5H,1-4H2;2H2,1H3/t45-,46+,50+;42-,46+,47+,56?;39-,43+,44+,53?;;;/m111.../s1/i;;;;;1D.

What are the key properties of [4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine?

[4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine has a molecular weight of 3779.67 g/mol, XLogP of 34.47, 84 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(3S)-3-amino-7-(methylamino)-2-oxoheptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;deuteriomethylphosphane;1-[5-(2,5-dioxopyrrol-1-yl)pentylcarbamoyl]cyclobutane-1-carboxylic acid;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl (6aS)-3-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-6-hydroxy-2-methyl-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate;[4-[(3S)-7-(methylamino)-2-oxo-3-(prop-2-enoxycarbonylamino)heptyl]phenyl]methyl 2-[5-[6-[(1S)-5-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methylphenyl]acetate;pyrrolidine is sourced from PubChem (CID 157246648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).