[(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate

C135H224N26O41 — CID 159469745

About [(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate

[(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate (PubChem CID 159469745) has the molecular formula C135H224N26O41 and a molecular weight of 2867.42 g/mol. Its IUPAC name is [(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate.

Molecular Properties

• Compound Name: [(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate
• PubChem CID: 159469745
• Molecular Formula: C135H224N26O41
• Molecular Weight: 2867.42 g/mol
• Exact Mass: 2865.62
• IUPAC Name: [(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate
• SMILES: CC(=O)O[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)C[C@H]1CCNC(=O)[C@H](C(C)O)NC(=O)[C@H](CCN)CC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(C)O.CC(=O)O[C@@H](CCNC(=O)OC(C)(C)C)C(C)=O.CCC[C@H](OC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(=O)C[C@H]1CCNC(=O)[C@H](C(C)O)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)CC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC1=O)C(C)O
• InChI: InChI=1S/C72H118N12O22.C51H85N13O14.C12H21NO5/c1-19-23-54(102-43(6)87)62(95)84-56(42(5)86)64(97)79-48(29-34-76-67(100)105-71(13,14)15)53(89)38-45-26-31-73-63(96)55(41(4)85)83-58(91)46(27-32-74-65(98)103-69(7,8)9)39-52(88)47(28-33-75-66(99)104-70(10,11)12)78-60(93)50(36-40(2)3)81-61(94)51(37-44-24-21-20-22-25-44)82-59(92)49(80-57(45)90)30-35-77-68(101)106-72(16,17)18;1-27(2)23-37-47(73)58-34(12-18-53)39(68)25-32(11-17-52)45(71)63-42(28(3)65)50(76)57-22-16-33(44(70)60-36(14-20-55)46(72)62-38(48(74)61-37)24-31-9-7-6-8-10-31)26-40(69)35(13-19-54)59-51(77)43(29(4)66)64-49(75)41(15-21-56)78-30(5)67;1-8(14)10(17-9(2)15)6-7-13-11(16)18-12(3,4)5/h20-22,24-25,40-42,45-51,54-56,85-86H,19,23,26-39H2,1-18H3,(H,73,96)(H,74,98)(H,75,99)(H,76,100)(H,77,101)(H,78,93)(H,79,97)(H,80,90)(H,81,94)(H,82,92)(H,83,91)(H,84,95);6-10,27-29,32-38,41-43,65-66H,11-26,52-56H2,1-5H3,(H,57,76)(H,58,73)(H,59,77)(H,60,70)(H,61,74)(H,62,72)(H,63,71)(H,64,75);10H,6-7H2,1-5H3,(H,13,16)/t41?,42?,45-,46-,47+,48+,49+,50+,51-,54+,55+,56+;28?,29?,32-,33-,34+,35+,36+,37+,38-,41+,42+,43+;10-/m110/s1
• InChIKey: LVQPQBFLBQMHIN-KRMSLWLOSA-N
• XLogP: -1.31
• TPSA: 1032.52 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 46
• Rotatable Bonds: 57
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2867.42
LogP ≤ 5	-1.31
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate?

The IUPAC name of [(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate (CID 159469745) is [(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate.

What is the SMILES notation for [(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate?

The canonical SMILES for [(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate is CC(=O)O[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)C[C@H]1CCNC(=O)[C@H](C(C)O)NC(=O)[C@H](CCN)CC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)C(C)O.CC(=O)O[C@@H](CCNC(=O)OC(C)(C)C)C(C)=O.CCC[C@H](OC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(=O)C[C@H]1CCNC(=O)[C@H](C(C)O)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)CC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC1=O)C(C)O.

What is the InChIKey of [(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate?

The InChIKey is LVQPQBFLBQMHIN-KRMSLWLOSA-N. The full InChI is InChI=1S/C72H118N12O22.C51H85N13O14.C12H21NO5/c1-19-23-54(102-43(6)87)62(95)84-56(42(5)86)64(97)79-48(29-34-76-67(100)105-71(13,14)15)53(89)38-45-26-31-73-63(96)55(41(4)85)83-58(91)46(27-32-74-65(98)103-69(7,8)9)39-52(88)47(28-33-75-66(99)104-70(10,11)12)78-60(93)50(36-40(2)3)81-61(94)51(37-44-24-21-20-22-25-44)82-59(92)49(80-57(45)90)30-35-77-68(101)106-72(16,17)18;1-27(2)23-37-47(73)58-34(12-18-53)39(68)25-32(11-17-52)45(71)63-42(28(3)65)50(76)57-22-16-33(44(70)60-36(14-20-55)46(72)62-38(48(74)61-37)24-31-9-7-6-8-10-31)26-40(69)35(13-19-54)59-51(77)43(29(4)66)64-49(75)41(15-21-56)78-30(5)67;1-8(14)10(17-9(2)15)6-7-13-11(16)18-12(3,4)5/h20-22,24-25,40-42,45-51,54-56,85-86H,19,23,26-39H2,1-18H3,(H,73,96)(H,74,98)(H,75,99)(H,76,100)(H,77,101)(H,78,93)(H,79,97)(H,80,90)(H,81,94)(H,82,92)(H,83,91)(H,84,95);6-10,27-29,32-38,41-43,65-66H,11-26,52-56H2,1-5H3,(H,57,76)(H,58,73)(H,59,77)(H,60,70)(H,61,74)(H,62,72)(H,63,71)(H,64,75);10H,6-7H2,1-5H3,(H,13,16)/t41?,42?,45-,46-,47+,48+,49+,50+,51-,54+,55+,56+;28?,29?,32-,33-,34+,35+,36+,37+,38-,41+,42+,43+;10-/m110/s1.

What are the key properties of [(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate?

[(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate has a molecular weight of 2867.42 g/mol, XLogP of -1.31, 57 rotatable bonds, 30 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-4-amino-1-[[(2S)-1-[[(3S)-5-amino-2-oxo-1-[(3S,6R,9S,12R,17S,20R,23S)-9,20,23-tris(2-aminoethyl)-6-benzyl-17-(1-hydroxyethyl)-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]pentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl] acetate;[(2S)-1-[[(2S)-1-[[(3S)-1-[(3S,6R,9S,12R,17S,20R,23S)-6-benzyl-17-(1-hydroxyethyl)-9,20,23-tris[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-methylpropyl)-2,5,8,11,16,19,22-heptaoxo-1,4,7,10,15,18-hexazacyclotricos-12-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl] acetate;[(3S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentan-3-yl] acetate is sourced from PubChem (CID 159469745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).