(2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate

C181H263F5N24O36 — CID 161450176

About (2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate

(2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate (PubChem CID 161450176) has the molecular formula C181H263F5N24O36 and a molecular weight of 3446.22 g/mol. Its IUPAC name is (2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate.

Molecular Properties

• Compound Name: (2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
• PubChem CID: 161450176
• Molecular Formula: C181H263F5N24O36
• Molecular Weight: 3446.22 g/mol
• Exact Mass: 3443.94
• IUPAC Name: (2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
• SMILES: CC(C)[C@@H](CC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NC(CCCNC(N)=O)C(=O)Cc1ccc(CCN)cc1.CC(C)[C@@H](CC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NC(CCCNC(N)=O)C(=O)Cc1ccc(CCNC(=O)OC(C)(C)C)cc1.CC(C)[C@@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)Cc1ccc(CCNC(=O)OC(C)(C)C)cc1.CC[C@H](C)C(C(CC(=O)N1CCCC1C(OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(CC(=O)[C@@H](CCCNC(N)=O)NC(=O)C(CC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)C(C(C)C)N(C)C)C(C)C.O=C(CCCCCN1C(=O)C=CC1=O)Oc1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C73H112N8O13.C36H53N5O8.C31H45N5O6.C25H41N5O5.C16H12F5NO4/c1-15-49(8)68(79(12)72(91)57(47(4)5)44-62(85)67(48(6)7)78(10)11)63(93-13)45-66(88)80-39-23-28-59(80)69(94-14)50(9)60(83)42-54(40-52-24-18-16-19-25-52)70(89)75-37-35-51-29-31-53(32-30-51)41-61(84)58(27-22-36-76-73(74)92)77-71(90)56(46(2)3)43-55(82)26-20-17-21-38-81-64(86)33-34-65(81)87;1-24(2)28(23-27(42)10-7-6-8-21-41-31(44)16-17-32(41)45)33(46)40-29(11-9-19-38-34(37)47)30(43)22-26-14-12-25(13-15-26)18-20-39-35(48)49-36(3,4)5;1-21(2)25(20-24(37)7-4-3-5-18-36-28(39)13-14-29(36)40)30(41)35-26(8-6-17-34-31(33)42)27(38)19-23-11-9-22(10-12-23)15-16-32;1-16(2)21(26)22(32)30-19(7-6-13-28-23(27)33)20(31)15-18-10-8-17(9-11-18)12-14-29-24(34)35-25(3,4)5;17-11-12(18)14(20)16(15(21)13(11)19)26-10(25)4-2-1-3-7-22-8(23)5-6-9(22)24/h16,18-19,24-25,29-34,46-50,54,56-59,63,67-69H,15,17,20-23,26-28,35-45H2,1-14H3,(H,75,89)(H,77,90)(H3,74,76,92);12-17,24,28-29H,6-11,18-23H2,1-5H3,(H,39,48)(H,40,46)(H3,37,38,47);9-14,21,25-26H,3-8,15-20,32H2,1-2H3,(H,35,41)(H3,33,34,42);8-11,16,19,21H,6-7,12-15,26H2,1-5H3,(H,29,34)(H,30,32)(H3,27,28,33);5-6H,1-4,7H2/t49-,50-,54+,56?,57-,58+,59?,63?,67?,68?,69?;28-,29?;25-,26?;19-,21-;/m0111./s1
• InChIKey: WAKSBQIMRZCKAD-QSDNNLJVSA-N
• XLogP: 17.68
• TPSA: 886.45 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 39
• Rotatable Bonds: 105
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3446.22
LogP ≤ 5	17.68
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?

The IUPAC name of (2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate (CID 161450176) is (2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate.

What is the SMILES notation for (2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?

The canonical SMILES for (2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate is CC(C)[C@@H](CC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NC(CCCNC(N)=O)C(=O)Cc1ccc(CCN)cc1.CC(C)[C@@H](CC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)NC(CCCNC(N)=O)C(=O)Cc1ccc(CCNC(=O)OC(C)(C)C)cc1.CC(C)[C@@H](N)C(=O)N[C@H](CCCNC(N)=O)C(=O)Cc1ccc(CCNC(=O)OC(C)(C)C)cc1.CC[C@H](C)C(C(CC(=O)N1CCCC1C(OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)C(=O)NCCc1ccc(CC(=O)[C@@H](CCCNC(N)=O)NC(=O)C(CC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)OC)N(C)C(=O)[C@@H](CC(=O)C(C(C)C)N(C)C)C(C)C.O=C(CCCCCN1C(=O)C=CC1=O)Oc1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of (2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?

The InChIKey is WAKSBQIMRZCKAD-QSDNNLJVSA-N. The full InChI is InChI=1S/C73H112N8O13.C36H53N5O8.C31H45N5O6.C25H41N5O5.C16H12F5NO4/c1-15-49(8)68(79(12)72(91)57(47(4)5)44-62(85)67(48(6)7)78(10)11)63(93-13)45-66(88)80-39-23-28-59(80)69(94-14)50(9)60(83)42-54(40-52-24-18-16-19-25-52)70(89)75-37-35-51-29-31-53(32-30-51)41-61(84)58(27-22-36-76-73(74)92)77-71(90)56(46(2)3)43-55(82)26-20-17-21-38-81-64(86)33-34-65(81)87;1-24(2)28(23-27(42)10-7-6-8-21-41-31(44)16-17-32(41)45)33(46)40-29(11-9-19-38-34(37)47)30(43)22-26-14-12-25(13-15-26)18-20-39-35(48)49-36(3,4)5;1-21(2)25(20-24(37)7-4-3-5-18-36-28(39)13-14-29(36)40)30(41)35-26(8-6-17-34-31(33)42)27(38)19-23-11-9-22(10-12-23)15-16-32;1-16(2)21(26)22(32)30-19(7-6-13-28-23(27)33)20(31)15-18-10-8-17(9-11-18)12-14-29-24(34)35-25(3,4)5;17-11-12(18)14(20)16(15(21)13(11)19)26-10(25)4-2-1-3-7-22-8(23)5-6-9(22)24/h16,18-19,24-25,29-34,46-50,54,56-59,63,67-69H,15,17,20-23,26-28,35-45H2,1-14H3,(H,75,89)(H,77,90)(H3,74,76,92);12-17,24,28-29H,6-11,18-23H2,1-5H3,(H,39,48)(H,40,46)(H3,37,38,47);9-14,21,25-26H,3-8,15-20,32H2,1-2H3,(H,35,41)(H3,33,34,42);8-11,16,19,21H,6-7,12-15,26H2,1-5H3,(H,29,34)(H,30,32)(H3,27,28,33);5-6H,1-4,7H2/t49-,50-,54+,56?,57-,58+,59?,63?,67?,68?,69?;28-,29?;25-,26?;19-,21-;/m0111./s1.

What are the key properties of (2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate?

(2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate has a molecular weight of 3446.22 g/mol, XLogP of 17.68, 105 rotatable bonds, 17 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[1-[4-(2-aminoethyl)phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;(2R)-N-[(3R)-1-[4-[2-[[(2R,5R)-2-benzyl-6-[1-[(5S)-4-[[(2S)-5-(dimethylamino)-6-methyl-4-oxo-2-propan-2-ylheptanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-6-methoxy-5-methyl-4-oxohexanoyl]amino]ethyl]phenyl]-6-(carbamoylamino)-2-oxohexan-3-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;tert-butyl N-[2-[4-[(3R)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-2-oxohexyl]phenyl]ethyl]carbamate;tert-butyl N-[2-[4-[6-(carbamoylamino)-3-[[(2R)-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanoyl]amino]-2-oxohexyl]phenyl]ethyl]carbamate;(2,3,4,5,6-pentafluorophenyl) 6-(2,5-dioxopyrrol-1-yl)hexanoate is sourced from PubChem (CID 161450176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).