(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate

C105H144N24O34S3 — CID 159778272

About (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate

(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate (PubChem CID 159778272) has the molecular formula C105H144N24O34S3 and a molecular weight of 2392.70 g/mol. Its IUPAC name is (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate
• PubChem CID: 159778272
• Molecular Formula: C105H144N24O34S3
• Molecular Weight: 2392.70 g/mol
• Exact Mass: 2391.01
• IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate
• SMILES: CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)O.[2H]C([2H])(Oc1cc(N)c(C(=O)N2CC(=C)C[C@H]2C2OCCN2C(=O)OCC(C)(C)SSCCC(=O)NCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)CC(C)C2=O)cc1C)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1cc2c(cc1OC)C(=O)N1CC(=C)C[C@H]1C=N2
• InChI: InChI=1S/C64H91N9O17S2.C41H53N15O17S/c1-42-31-46-38-69-50-37-54(53(82-7)35-48(50)61(80)72(46)39-42)88-20-10-8-9-19-87-52-36-49(65)47(33-44(52)3)60(79)73-40-43(2)32-51(73)62-71(18-23-89-62)63(81)90-41-64(5,6)92-91-30-13-57(76)67-15-14-66-56(75)12-21-83-24-26-85-28-29-86-27-25-84-22-16-68-55(74)11-17-70-58(77)34-45(4)59(70)78;1-74-16-25(39(72)73)54-36(68)24(13-29(62)63)53-35(67)23(12-28(60)61)52-33(65)20(3-2-10-45-40(42)43)50-34(66)22(11-27(58)59)49-26(57)9-8-21(38(70)71)51-32(64)17-4-6-18(7-5-17)46-14-19-15-47-31-30(48-19)37(69)56-41(44)55-31/h33,35-38,45-46,51,62H,1-2,8-32,34,39-41,65H2,3-7H3,(H,66,75)(H,67,76)(H,68,74);4-7,15,20-25,46H,2-3,8-14,16H2,1H3,(H,49,57)(H,50,66)(H,51,64)(H,52,65)(H,53,67)(H,54,68)(H,58,59)(H,60,61)(H,62,63)(H,70,71)(H,72,73)(H4,42,43,45)(H3,44,47,55,56,69)/t45?,46-,51-,62?;20-,21-,22-,23-,24-,25-/m00/s1/i8D2,9D2,10D2,19D2,20D2
• InChIKey: NHAIEBYFLAOHRL-NHXHNYIKSA-N
• XLogP: 0.63
• TPSA: 842.14 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 40
• Rotatable Bonds: 70
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2392.70
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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 (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate?

The IUPAC name of (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate (CID 159778272) is (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate is CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)O.[2H]C([2H])(Oc1cc(N)c(C(=O)N2CC(=C)C[C@H]2C2OCCN2C(=O)OCC(C)(C)SSCCC(=O)NCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)CC(C)C2=O)cc1C)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1cc2c(cc1OC)C(=O)N1CC(=C)C[C@H]1C=N2.

What is the InChIKey of (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate?

The InChIKey is NHAIEBYFLAOHRL-NHXHNYIKSA-N. The full InChI is InChI=1S/C64H91N9O17S2.C41H53N15O17S/c1-42-31-46-38-69-50-37-54(53(82-7)35-48(50)61(80)72(46)39-42)88-20-10-8-9-19-87-52-36-49(65)47(33-44(52)3)60(79)73-40-43(2)32-51(73)62-71(18-23-89-62)63(81)90-41-64(5,6)92-91-30-13-57(76)67-15-14-66-56(75)12-21-83-24-26-85-28-29-86-27-25-84-22-16-68-55(74)11-17-70-58(77)34-45(4)59(70)78;1-74-16-25(39(72)73)54-36(68)24(13-29(62)63)53-35(67)23(12-28(60)61)52-33(65)20(3-2-10-45-40(42)43)50-34(66)22(11-27(58)59)49-26(57)9-8-21(38(70)71)51-32(64)17-4-6-18(7-5-17)46-14-19-15-47-31-30(48-19)37(69)56-41(44)55-31/h33,35-38,45-46,51,62H,1-2,8-32,34,39-41,65H2,3-7H3,(H,66,75)(H,67,76)(H,68,74);4-7,15,20-25,46H,2-3,8-14,16H2,1H3,(H,49,57)(H,50,66)(H,51,64)(H,52,65)(H,53,67)(H,54,68)(H,58,59)(H,60,61)(H,62,63)(H,70,71)(H,72,73)(H4,42,43,45)(H3,44,47,55,56,69)/t45?,46-,51-,62?;20-,21-,22-,23-,24-,25-/m00/s1/i8D2,9D2,10D2,19D2,20D2;.

What are the key properties of (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate?

(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 2392.70 g/mol, XLogP of 0.63, 70 rotatable bonds, 20 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1R)-1-carboxy-2-methylsulfanylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid;[2-methyl-2-[[3-[2-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethylamino]-3-oxopropyl]disulfanyl]propyl] 2-[(2S)-1-[4-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-1,1,2,2,3,3,4,4,5,5-decadeuteriopentoxy]-2-amino-5-methylbenzoyl]-4-methylidenepyrrolidin-2-yl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 159778272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).