[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate

C150H194N24O20 — CID 167658705

About [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate

[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate (PubChem CID 167658705) has the molecular formula C150H194N24O20 and a molecular weight of 2653.35 g/mol. Its IUPAC name is [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate.

Molecular Properties

• Compound Name: [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate
• PubChem CID: 167658705
• Molecular Formula: C150H194N24O20
• Molecular Weight: 2653.35 g/mol
• Exact Mass: 2651.49
• IUPAC Name: [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate
• SMILES: CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccccc2)cc1.CCCCCc1cc2c(CCCCCN)cccc2nc1N.CCCCCc1cc2c(CCCCCNC(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)C(C)C)cc3)cccc2nc1N.CCCCCc1cc2c(CCCCCNC(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)C(C)C)cc3)cccc2nc1N
• InChI: InChI=1S/C53H66N8O7.C40H43N5O8.C38H56N8O5.C19H29N3/c1-4-5-7-17-37-31-43-36(18-14-23-45(43)59-48(37)54)16-8-6-13-29-57-52(65)67-32-35-25-27-38(28-26-35)58-49(62)46(24-15-30-56-51(55)64)60-50(63)47(34(2)3)61-53(66)68-33-44-41-21-11-9-19-39(41)40-20-10-12-22-42(40)44;1-25(2)35(45-39(49)51-24-33-31-15-8-6-13-29(31)30-14-7-9-16-32(30)33)37(47)44-34(17-10-22-42-38(41)48)36(46)43-27-20-18-26(19-21-27)23-52-40(50)53-28-11-4-3-5-12-28;1-4-5-7-13-28-23-30-27(14-10-15-31(30)45-34(28)40)12-8-6-9-21-43-38(50)51-24-26-17-19-29(20-18-26)44-35(47)32(16-11-22-42-37(41)49)46-36(48)33(39)25(2)3;1-2-3-5-10-16-14-17-15(9-6-4-7-13-20)11-8-12-18(17)22-19(16)21/h9-12,14,18-23,25-28,31,34,44,46-47H,4-8,13,15-17,24,29-30,32-33H2,1-3H3,(H2,54,59)(H,57,65)(H,58,62)(H,60,63)(H,61,66)(H3,55,56,64);3-9,11-16,18-21,25,33-35H,10,17,22-24H2,1-2H3,(H,43,46)(H,44,47)(H,45,49)(H3,41,42,48);10,14-15,17-20,23,25,32-33H,4-9,11-13,16,21-22,24,39H2,1-3H3,(H2,40,45)(H,43,50)(H,44,47)(H,46,48)(H3,41,42,49);8,11-12,14H,2-7,9-10,13,20H2,1H3,(H2,21,22)/t46-,47-;34-,35-;32-,33-;/m000./s1
• InChIKey: RQGOKBMKLZEOIH-IMSQLAMBSA-N
• XLogP: 23.73
• TPSA: 697.58 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 28
• Rotatable Bonds: 69
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2653.35
LogP ≤ 5	23.73
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate?

The IUPAC name of [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate (CID 167658705) is [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate.

What is the SMILES notation for [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate?

The canonical SMILES for [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate is CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccccc2)cc1.CCCCCc1cc2c(CCCCCN)cccc2nc1N.CCCCCc1cc2c(CCCCCNC(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)C(C)C)cc3)cccc2nc1N.CCCCCc1cc2c(CCCCCNC(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)C(C)C)cc3)cccc2nc1N.

What is the InChIKey of [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate?

The InChIKey is RQGOKBMKLZEOIH-IMSQLAMBSA-N. The full InChI is InChI=1S/C53H66N8O7.C40H43N5O8.C38H56N8O5.C19H29N3/c1-4-5-7-17-37-31-43-36(18-14-23-45(43)59-48(37)54)16-8-6-13-29-57-52(65)67-32-35-25-27-38(28-26-35)58-49(62)46(24-15-30-56-51(55)64)60-50(63)47(34(2)3)61-53(66)68-33-44-41-21-11-9-19-39(41)40-20-10-12-22-42(40)44;1-25(2)35(45-39(49)51-24-33-31-15-8-6-13-29(31)30-14-7-9-16-32(30)33)37(47)44-34(17-10-22-42-38(41)48)36(46)43-27-20-18-26(19-21-27)23-52-40(50)53-28-11-4-3-5-12-28;1-4-5-7-13-28-23-30-27(14-10-15-31(30)45-34(28)40)12-8-6-9-21-43-38(50)51-24-26-17-19-29(20-18-26)44-35(47)32(16-11-22-42-37(41)49)46-36(48)33(39)25(2)3;1-2-3-5-10-16-14-17-15(9-6-4-7-13-20)11-8-12-18(17)22-19(16)21/h9-12,14,18-23,25-28,31,34,44,46-47H,4-8,13,15-17,24,29-30,32-33H2,1-3H3,(H2,54,59)(H,57,65)(H,58,62)(H,60,63)(H,61,66)(H3,55,56,64);3-9,11-16,18-21,25,33-35H,10,17,22-24H2,1-2H3,(H,43,46)(H,44,47)(H,45,49)(H3,41,42,48);10,14-15,17-20,23,25,32-33H,4-9,11-13,16,21-22,24,39H2,1-3H3,(H2,40,45)(H,43,50)(H,44,47)(H,46,48)(H3,41,42,49);8,11-12,14H,2-7,9-10,13,20H2,1H3,(H2,21,22)/t46-,47-;34-,35-;32-,33-;/m000./s1.

What are the key properties of [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate?

[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate has a molecular weight of 2653.35 g/mol, XLogP of 23.73, 69 rotatable bonds, 21 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;5-(5-aminopentyl)-3-pentylquinolin-2-amine;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[5-(2-amino-3-pentylquinolin-5-yl)pentyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl phenyl carbonate is sourced from PubChem (CID 167658705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).