(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid

C177H240N24O28 — CID 160634496

About (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid

(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid (PubChem CID 160634496) has the molecular formula C177H240N24O28 and a molecular weight of 3152.01 g/mol. Its IUPAC name is (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid.

Molecular Properties

• Compound Name: (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid
• PubChem CID: 160634496
• Molecular Formula: C177H240N24O28
• Molecular Weight: 3152.01 g/mol
• Exact Mass: 3149.81
• IUPAC Name: (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid
• SMILES: CC(C)(C)OC(=O)Nc1ccc(CNC(=O)[C@@H](N)Cc2ccccn2)cc1.CC(C)(C)OC(=O)Nc1ccc(CNC(=O)[C@H](Cc2ccccn2)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccn1)C(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccn1)C(=O)NCc1ccc(N)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C.O=C(N[C@@H](Cc1ccccn1)C(=O)O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C52H83N7O9.C47H75N7O7.C35H36N4O5.C23H20N2O4.C20H26N4O3/c1-16-34(6)46(58(13)50(64)44(32(2)3)56-49(63)45(33(4)5)57(11)12)42(66-14)30-43(61)59-27-19-21-40(59)47(67-15)35(7)41(60)29-37(28-39-20-17-18-26-53-39)48(62)54-31-36-22-24-38(25-23-36)55-51(65)68-52(8,9)10;1-13-31(6)43(53(10)47(59)36(29(2)3)26-39(55)42(30(4)5)52(8)9)40(60-11)27-41(56)54-24-16-18-38(54)44(61-12)32(7)45(57)51-37(25-35-17-14-15-23-49-35)46(58)50-28-33-19-21-34(48)22-20-33;1-35(2,3)44-34(42)38-24-17-15-23(16-18-24)21-37-32(40)31(20-25-10-8-9-19-36-25)39-33(41)43-22-30-28-13-6-4-11-26(28)27-12-5-7-14-29(27)30;26-22(27)21(13-15-7-5-6-12-24-15)25-23(28)29-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20;1-20(2,3)27-19(26)24-15-9-7-14(8-10-15)13-23-18(25)17(21)12-16-6-4-5-11-22-16/h17-18,20,22-26,32-35,37,40,42,44-47H,16,19,21,27-31H2,1-15H3,(H,54,62)(H,55,65)(H,56,63);14-15,17,19-23,29-32,36-38,40,42-44H,13,16,18,24-28,48H2,1-12H3,(H,50,58)(H,51,57);4-19,30-31H,20-22H2,1-3H3,(H,37,40)(H,38,42)(H,39,41);1-12,20-21H,13-14H2,(H,25,28)(H,26,27);4-11,17H,12-13,21H2,1-3H3,(H,23,25)(H,24,26)/t34-,35-,37+,40-,42+,44-,45-,46-,47+;31-,32+,36-,37-,38-,40+,42-,43-,44+;31-;21-;17-/m00000/s1
• InChIKey: RIJAWAHARUUAAW-MFCGTBJBSA-N
• XLogP: 23.68
• TPSA: 678.82 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 70
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3152.01
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid?

The IUPAC name of (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid (CID 160634496) is (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid.

What is the SMILES notation for (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid?

The canonical SMILES for (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid is CC(C)(C)OC(=O)Nc1ccc(CNC(=O)[C@@H](N)Cc2ccccn2)cc1.CC(C)(C)OC(=O)Nc1ccc(CNC(=O)[C@H](Cc2ccccn2)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccn1)C(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccn1)C(=O)NCc1ccc(N)cc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C)C(C)C.O=C(N[C@@H](Cc1ccccn1)C(=O)O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid?

The InChIKey is RIJAWAHARUUAAW-MFCGTBJBSA-N. The full InChI is InChI=1S/C52H83N7O9.C47H75N7O7.C35H36N4O5.C23H20N2O4.C20H26N4O3/c1-16-34(6)46(58(13)50(64)44(32(2)3)56-49(63)45(33(4)5)57(11)12)42(66-14)30-43(61)59-27-19-21-40(59)47(67-15)35(7)41(60)29-37(28-39-20-17-18-26-53-39)48(62)54-31-36-22-24-38(25-23-36)55-51(65)68-52(8,9)10;1-13-31(6)43(53(10)47(59)36(29(2)3)26-39(55)42(30(4)5)52(8)9)40(60-11)27-41(56)54-24-16-18-38(54)44(61-12)32(7)45(57)51-37(25-35-17-14-15-23-49-35)46(58)50-28-33-19-21-34(48)22-20-33;1-35(2,3)44-34(42)38-24-17-15-23(16-18-24)21-37-32(40)31(20-25-10-8-9-19-36-25)39-33(41)43-22-30-28-13-6-4-11-26(28)27-12-5-7-14-29(27)30;26-22(27)21(13-15-7-5-6-12-24-15)25-23(28)29-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20;1-20(2,3)27-19(26)24-15-9-7-14(8-10-15)13-23-18(25)17(21)12-16-6-4-5-11-22-16/h17-18,20,22-26,32-35,37,40,42,44-47H,16,19,21,27-31H2,1-15H3,(H,54,62)(H,55,65)(H,56,63);14-15,17,19-23,29-32,36-38,40,42-44H,13,16,18,24-28,48H2,1-12H3,(H,50,58)(H,51,57);4-19,30-31H,20-22H2,1-3H3,(H,37,40)(H,38,42)(H,39,41);1-12,20-21H,13-14H2,(H,25,28)(H,26,27);4-11,17H,12-13,21H2,1-3H3,(H,23,25)(H,24,26)/t34-,35-,37+,40-,42+,44-,45-,46-,47+;31-,32+,36-,37-,38-,40+,42-,43-,44+;31-;21-;17-/m00000/s1.

What are the key properties of (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid?

(2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid has a molecular weight of 3152.01 g/mol, XLogP of 23.68, 70 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-[(4-aminophenyl)methylamino]-1-oxo-3-pyridin-2-ylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-5-(dimethylamino)-N,6-dimethyl-4-oxo-2-propan-2-ylheptanamide;tert-butyl N-[4-[[[(2S)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2R,5R,6R)-6-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxo-2-(pyridin-2-ylmethyl)hexanoyl]amino]methyl]phenyl]carbamate;tert-butyl N-[4-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]methyl]phenyl]carbamate;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 160634496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).