2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid

C152H142N12O52 — CID 167700195

About 2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid

2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid (PubChem CID 167700195) has the molecular formula C152H142N12O52 and a molecular weight of 2968.84 g/mol. Its IUPAC name is 2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid
• PubChem CID: 167700195
• Molecular Formula: C152H142N12O52
• Molecular Weight: 2968.84 g/mol
• Exact Mass: 2966.88
• IUPAC Name: 2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid
• SMILES: COc1c(NC(CC(N)=O)C(=O)O)c2c3c4c1C(C(C)=O)C(C)=CC1=C(CC(CC(N)=O)C(=O)O)C(O)C5=C(C(=C3C(CO)=CC2=O)C(CO)=CC5=O)C14.COc1c(O)c2c(=O)cc(CO)c3c4c(CO)cc(NC(CNC=O)C(=O)O)c5c(=O)c(CC(CC(N)=O)C(=O)O)c6c(c(c1C(C(C)=O)C(C)=C6)c23)c54.COc1c2c3c4c(c(CC(CC(N)=O)C(=O)O)c(NC(CC(N)=O)C(=O)O)c5c(=O)cc(CO)c(c6c(CO)cc(O)c(c1=O)c63)c54)C=C(C)C2C(C)=O.COc1c2c3c4c(c(CC(CC(N)=O)C(=O)O)c(O)c5c(=O)cc(CO)c(c6c(CO)cc(NC(CNC=O)C(=O)O)c(c1=O)c63)c54)C=C(C)C2C(C)=O
• InChI: InChI=1S/2C38H35N3O13.C38H37N3O13.C38H35N3O13/c1-13-4-18-19(5-15(37(50)51)8-23(39)47)34(48)29-22(46)7-17(11-43)26-25-16(10-42)6-20(41-21(38(52)53)9-40-12-44)28-31(25)32(27(18)30(26)29)33(24(13)14(2)45)36(54-3)35(28)49;1-13-4-18-19(5-15(37(50)51)8-23(39)47)34(48)28-20(41-21(38(52)53)9-40-12-44)6-16(10-42)25-26-17(11-43)7-22(46)29-31(26)32(27(18)30(25)28)33(24(13)14(2)45)36(54-3)35(29)49;1-12-4-17-18(5-14(37(50)51)8-22(39)47)35(49)29-21(46)7-16(11-43)25-26-15(10-42)6-20(45)28-31(26)32(27(17)30(25)29)33(24(12)13(2)44)36(54-3)34(28)41-19(38(52)53)9-23(40)48;1-12-4-17-18(5-14(37(50)51)8-22(39)47)34(41-19(38(52)53)9-23(40)48)28-20(45)6-15(10-42)25-26-16(11-43)7-21(46)29-31(26)32(27(17)30(25)28)33(24(12)13(2)44)36(54-3)35(29)49/h4,6-7,12,15,21,24,41-43,48H,5,8-11H2,1-3H3,(H2,39,47)(H,40,44)(H,50,51)(H,52,53);4,6-7,12,15,21,24,41-43,49H,5,8-11H2,1-3H3,(H2,39,47)(H,40,44)(H,50,51)(H,52,53);4,6-7,14,19,24,27,35,41-43,49H,5,8-11H2,1-3H3,(H2,39,47)(H2,40,48)(H,50,51)(H,52,53);4,6-7,14,19,24,41-43,46H,5,8-11H2,1-3H3,(H2,39,47)(H2,40,48)(H,50,51)(H,52,53)
• InChIKey: HCVQNZZIIPPYBR-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 1147.78 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 48
• Rotatable Bonds: 58
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2968.84
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid?

The IUPAC name of 2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid (CID 167700195) is 2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid.

What is the SMILES notation for 2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid?

The canonical SMILES for 2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid is COc1c(NC(CC(N)=O)C(=O)O)c2c3c4c1C(C(C)=O)C(C)=CC1=C(CC(CC(N)=O)C(=O)O)C(O)C5=C(C(=C3C(CO)=CC2=O)C(CO)=CC5=O)C14.COc1c(O)c2c(=O)cc(CO)c3c4c(CO)cc(NC(CNC=O)C(=O)O)c5c(=O)c(CC(CC(N)=O)C(=O)O)c6c(c(c1C(C(C)=O)C(C)=C6)c23)c54.COc1c2c3c4c(c(CC(CC(N)=O)C(=O)O)c(NC(CC(N)=O)C(=O)O)c5c(=O)cc(CO)c(c6c(CO)cc(O)c(c1=O)c63)c54)C=C(C)C2C(C)=O.COc1c2c3c4c(c(CC(CC(N)=O)C(=O)O)c(O)c5c(=O)cc(CO)c(c6c(CO)cc(NC(CNC=O)C(=O)O)c(c1=O)c63)c54)C=C(C)C2C(C)=O.

What is the InChIKey of 2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid?

The InChIKey is HCVQNZZIIPPYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H35N3O13.C38H37N3O13.C38H35N3O13/c1-13-4-18-19(5-15(37(50)51)8-23(39)47)34(48)29-22(46)7-17(11-43)26-25-16(10-42)6-20(41-21(38(52)53)9-40-12-44)28-31(25)32(27(18)30(26)29)33(24(13)14(2)45)36(54-3)35(28)49;1-13-4-18-19(5-15(37(50)51)8-23(39)47)34(48)28-20(41-21(38(52)53)9-40-12-44)6-16(10-42)25-26-17(11-43)7-22(46)29-31(26)32(27(18)30(25)28)33(24(13)14(2)45)36(54-3)35(29)49;1-12-4-17-18(5-14(37(50)51)8-22(39)47)35(49)29-21(46)7-16(11-43)25-26-15(10-42)6-20(45)28-31(26)32(27(17)30(25)29)33(24(12)13(2)44)36(54-3)34(28)41-19(38(52)53)9-23(40)48;1-12-4-17-18(5-14(37(50)51)8-22(39)47)34(41-19(38(52)53)9-23(40)48)28-20(45)6-15(10-42)25-26-16(11-43)7-21(46)29-31(26)32(27(17)30(25)28)33(24(12)13(2)44)36(54-3)35(29)49/h4,6-7,12,15,21,24,41-43,48H,5,8-11H2,1-3H3,(H2,39,47)(H,40,44)(H,50,51)(H,52,53);4,6-7,12,15,21,24,41-43,49H,5,8-11H2,1-3H3,(H2,39,47)(H,40,44)(H,50,51)(H,52,53);4,6-7,14,19,24,27,35,41-43,49H,5,8-11H2,1-3H3,(H2,39,47)(H2,40,48)(H,50,51)(H,52,53);4,6-7,14,19,24,41-43,46H,5,8-11H2,1-3H3,(H2,39,47)(H2,40,48)(H,50,51)(H,52,53).

What are the key properties of 2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid?

2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid has a molecular weight of 2968.84 g/mol, XLogP of 4.84, 58 rotatable bonds, 32 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[14-acetyl-9-[(3-amino-1-carboxy-3-oxopropyl)amino]-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-17-[(3-amino-1-carboxy-3-oxopropyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-7-[(1-carboxy-2-formamidoethyl)amino]-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]methyl]-4-amino-4-oxobutanoic acid;2-[[14-acetyl-19-[(1-carboxy-2-formamidoethyl)amino]-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]methyl]-4-amino-4-oxobutanoic acid is sourced from PubChem (CID 167700195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).