(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate

C₁₂₇H₁₁₀Cl₅FN₃₄O₁₄ — CID 157439863

About (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate

(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate (PubChem CID 157439863) has the molecular formula C₁₂₇H₁₁₀Cl₅FN₃₄O₁₄ and a molecular weight of 2532.76 g/mol. Its IUPAC name is (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate.

Molecular Properties

• Compound Name: (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate
• PubChem CID: 157439863
• Molecular Formula: C₁₂₇H₁₁₀Cl₅FN₃₄O₁₄
• Molecular Weight: 2532.76 g/mol
• Exact Mass: 2528.74
• IUPAC Name: (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate
• SMILES: COC(=O)Cc1ccc2c(c1)NC(=O)c1cccc(c1)CCCOC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1.COC(=O)Nc1ccc2c(c1)CCCCc1ccc(cc1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1.COC(=O)Nc1ccc2c(c1)CNC(=O)c1ccc(cc1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)NC1Cc2ccc(F)c(n2)CCC(=O)Nc2ccccc2-c2cnc1[nH]2
• InChI: InChI=1S/C34H31ClN8O5.C33H31ClN8O3.C31H25Cl2N9O4.C29H23ClFN9O2/c1-47-32(45)16-22-7-10-26-27(15-22)40-34(46)24-6-2-4-21(14-24)5-3-13-48-19-29(33-36-18-28(26)39-33)38-31(44)12-8-23-17-25(35)9-11-30(23)43-20-37-41-42-43;1-45-33(44)37-26-12-13-27-23(18-26)5-3-2-4-21-6-8-22(9-7-21)16-28(32-35-19-29(27)39-32)38-31(43)15-10-24-17-25(34)11-14-30(24)42-20-36-40-41-42;1-46-31(45)36-22-8-9-23-20(14-22)15-34-30(44)18-4-2-17(3-5-18)12-24(29-38-27(23)28(33)39-29)37-26(43)11-6-19-13-21(32)7-10-25(19)42-16-35-40-41-42;30-18-6-10-26(40-16-33-38-39-40)17(13-18)5-11-27(41)36-24-14-19-7-8-21(31)23(34-19)9-12-28(42)35-22-4-2-1-3-20(22)25-15-32-29(24)37-25/h2,4,6-12,14-15,17-18,20,29H,3,5,13,16,19H2,1H3,(H,36,39)(H,38,44)(H,40,46);6-15,17-20,28H,2-5,16H2,1H3,(H,35,39)(H,37,44)(H,38,43);2-11,13-14,16,24H,12,15H2,1H3,(H,34,44)(H,36,45)(H,37,43)(H,38,39);1-8,10-11,13,15-16,24H,9,12,14H2,(H,32,37)(H,35,42)(H,36,41)/b12-8+;15-10+;11-6+;11-5+/t29-;28-;24-;/m000./s1
• InChIKey: BRNQIGOKEHHYKI-YGTCRQSLSA-N
• XLogP: 19.52
• TPSA: 617.90 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2532.76
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate?

The IUPAC name of (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate (CID 157439863) is (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate.

What is the SMILES notation for (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate?

The canonical SMILES for (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate is COC(=O)Cc1ccc2c(c1)NC(=O)c1cccc(c1)CCCOC[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1.COC(=O)Nc1ccc2c(c1)CCCCc1ccc(cc1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1ncc-2[nH]1.COC(=O)Nc1ccc2c(c1)CNC(=O)c1ccc(cc1)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)c1nc-2c(Cl)[nH]1.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)NC1Cc2ccc(F)c(n2)CCC(=O)Nc2ccccc2-c2cnc1[nH]2.

What is the InChIKey of (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate?

The InChIKey is BRNQIGOKEHHYKI-YGTCRQSLSA-N. The full InChI is InChI=1S/C34H31ClN8O5.C33H31ClN8O3.C31H25Cl2N9O4.C29H23ClFN9O2/c1-47-32(45)16-22-7-10-26-27(15-22)40-34(46)24-6-2-4-21(14-24)5-3-13-48-19-29(33-36-18-28(26)39-33)38-31(44)12-8-23-17-25(35)9-11-30(23)43-20-37-41-42-43;1-45-33(44)37-26-12-13-27-23(18-26)5-3-2-4-21-6-8-22(9-7-21)16-28(32-35-19-29(27)39-32)38-31(43)15-10-24-17-25(34)11-14-30(24)42-20-36-40-41-42;1-46-31(45)36-22-8-9-23-20(14-22)15-34-30(44)18-4-2-17(3-5-18)12-24(29-38-27(23)28(33)39-29)37-26(43)11-6-19-13-21(32)7-10-25(19)42-16-35-40-41-42;30-18-6-10-26(40-16-33-38-39-40)17(13-18)5-11-27(41)36-24-14-19-7-8-21(31)23(34-19)9-12-28(42)35-22-4-2-1-3-20(22)25-15-32-29(24)37-25/h2,4,6-12,14-15,17-18,20,29H,3,5,13,16,19H2,1H3,(H,36,39)(H,38,44)(H,40,46);6-15,17-20,28H,2-5,16H2,1H3,(H,35,39)(H,37,44)(H,38,43);2-11,13-14,16,24H,12,15H2,1H3,(H,34,44)(H,36,45)(H,37,43)(H,38,39);1-8,10-11,13,15-16,24H,9,12,14H2,(H,32,37)(H,35,42)(H,36,41)/b12-8+;15-10+;11-6+;11-5+/t29-;28-;24-;/m000./s1.

What are the key properties of (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate?

(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate has a molecular weight of 2532.76 g/mol, XLogP of 19.52, 20 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-(19-fluoro-15-oxo-5,14,22,23-tetrazatetracyclo[16.3.1.14,7.08,13]tricosa-1(22),4,6,8,10,12,18,20-octaen-3-yl)prop-2-enamide;methyl N-[(3S)-6-chloro-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-16-oxo-5,15,22-triazatetracyclo[15.2.2.14,7.08,13]docosa-1(20),4(22),6,8(13),9,11,17(21),18-octaen-11-yl]carbamate;methyl N-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-5,23-diazatetracyclo[16.2.2.14,7.08,13]tricosa-1(21),4,6,8(13),9,11,18(22),19-octaen-11-yl]carbamate;methyl 2-[(14R)-14-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-16-oxa-3,12,25-triazatetracyclo[18.3.1.110,13.04,9]pentacosa-1(23),4(9),5,7,10,12,20(24),21-octaen-6-yl]acetate is sourced from PubChem (CID 157439863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157439863 — identifiers, structure, computed properties (public domain)

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