ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

C118H167N17O35 — CID 158257547

IUPACethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)O.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C33H48N4O9.C29H41N5O8.C29H41N3O9.C27H37N5O9/c1-7-44-27(38)14-13-24(18-23-15-16-34-29(23)40)35-30(41)25(17-21(2)3)36-31(42)26(19-28(39)46-33(4,5)6)37-32(43)45-20-22-11-9-8-10-12-22;1-4-41-25(36)11-10-21(15-20-12-13-31-26(20)37)32-27(38)22(14-18(2)3)33-28(39)23(16-24(30)35)34-29(40)42-17-19-8-6-5-7-9-19;1-5-39-24(34)12-11-22(16-21-13-14-30-26(21)35)31-27(36)23(15-18(2)3)41-28(37)25(19(4)33)32-29(38)40-17-20-9-7-6-8-10-20;1-2-40-23(35)11-8-19(14-18-12-13-29-24(18)36)30-25(37)20(9-10-22(28)34)31-26(38)21(15-33)32-27(39)41-16-17-6-4-3-5-7-17/h8-14,21,23-26H,7,15-20H2,1-6H3,(H,34,40)(H,35,41)(H,36,42)(H,37,43);5-11,18,20-23H,4,12-17H2,1-3H3,(H2,30,35)(H,31,37)(H,32,38)(H,33,39)(H,34,40);6-12,18-19,21-23,25,33H,5,13-17H2,1-4H3,(H,30,35)(H,31,36)(H,32,38);3-8,11,18-21,33H,2,9-10,12-16H2,1H3,(H2,28,34)(H,29,36)(H,30,37)(H,31,38)(H,32,39)/b14-13+;11-10+;12-11+;11-8+/t23-,24+,25-,26-;20-,21+,22-,23-;19?,21-,22+,23-,25-;18-,19+,20-,21-/m0000/s1
InChIKeyGHLUYWJLAIGOGR-MRNPOHGDSA-N
MW2383.72 g/mol
LogP4.40
Rot. Bonds63

About ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate (PubChem CID 158257547) has the molecular formula C118H167N17O35 and a molecular weight of 2383.72 g/mol. Its IUPAC name is ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
PubChem CID158257547
Molecular FormulaC118H167N17O35
Molecular Weight2383.72 g/mol
Exact Mass2382.18
IUPAC Nameethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)O.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C33H48N4O9.C29H41N5O8.C29H41N3O9.C27H37N5O9/c1-7-44-27(38)14-13-24(18-23-15-16-34-29(23)40)35-30(41)25(17-21(2)3)36-31(42)26(19-28(39)46-33(4,5)6)37-32(43)45-20-22-11-9-8-10-12-22;1-4-41-25(36)11-10-21(15-20-12-13-31-26(20)37)32-27(38)22(14-18(2)3)33-28(39)23(16-24(30)35)34-29(40)42-17-19-8-6-5-7-9-19;1-5-39-24(34)12-11-22(16-21-13-14-30-26(21)35)31-27(36)23(15-18(2)3)41-28(37)25(19(4)33)32-29(38)40-17-20-9-7-6-8-10-20;1-2-40-23(35)11-8-19(14-18-12-13-29-24(18)36)30-25(37)20(9-10-22(28)34)31-26(38)21(15-33)32-27(39)41-16-17-6-4-3-5-7-17/h8-14,21,23-26H,7,15-20H2,1-6H3,(H,34,40)(H,35,41)(H,36,42)(H,37,43);5-11,18,20-23H,4,12-17H2,1-3H3,(H2,30,35)(H,31,37)(H,32,38)(H,33,39)(H,34,40);6-12,18-19,21-23,25,33H,5,13-17H2,1-4H3,(H,30,35)(H,31,36)(H,32,38);3-8,11,18-21,33H,2,9-10,12-16H2,1H3,(H2,28,34)(H,29,36)(H,30,37)(H,31,38)(H,32,39)/b14-13+;11-10+;12-11+;11-8+/t23-,24+,25-,26-;20-,21+,22-,23-;19?,21-,22+,23-,25-;18-,19+,20-,21-/m0000/s1
InChIKeyGHLUYWJLAIGOGR-MRNPOHGDSA-N
XLogP4.40
TPSA757.86 Ų
H-Bond Donors19
H-Bond Acceptors35
Rotatable Bonds63
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002383.72
LogP ≤ 54.40
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate?
The IUPAC name of ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate (CID 158257547) is ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate.
What is the SMILES notation for ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate?
The canonical SMILES for ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate is CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)OC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)O.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1.
What is the InChIKey of ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate?
The InChIKey is GHLUYWJLAIGOGR-MRNPOHGDSA-N. The full InChI is InChI=1S/C33H48N4O9.C29H41N5O8.C29H41N3O9.C27H37N5O9/c1-7-44-27(38)14-13-24(18-23-15-16-34-29(23)40)35-30(41)25(17-21(2)3)36-31(42)26(19-28(39)46-33(4,5)6)37-32(43)45-20-22-11-9-8-10-12-22;1-4-41-25(36)11-10-21(15-20-12-13-31-26(20)37)32-27(38)22(14-18(2)3)33-28(39)23(16-24(30)35)34-29(40)42-17-19-8-6-5-7-9-19;1-5-39-24(34)12-11-22(16-21-13-14-30-26(21)35)31-27(36)23(15-18(2)3)41-28(37)25(19(4)33)32-29(38)40-17-20-9-7-6-8-10-20;1-2-40-23(35)11-8-19(14-18-12-13-29-24(18)36)30-25(37)20(9-10-22(28)34)31-26(38)21(15-33)32-27(39)41-16-17-6-4-3-5-7-17/h8-14,21,23-26H,7,15-20H2,1-6H3,(H,34,40)(H,35,41)(H,36,42)(H,37,43);5-11,18,20-23H,4,12-17H2,1-3H3,(H2,30,35)(H,31,37)(H,32,38)(H,33,39)(H,34,40);6-12,18-19,21-23,25,33H,5,13-17H2,1-4H3,(H,30,35)(H,31,36)(H,32,38);3-8,11,18-21,33H,2,9-10,12-16H2,1H3,(H2,28,34)(H,29,36)(H,30,37)(H,31,38)(H,32,39)/b14-13+;11-10+;12-11+;11-8+/t23-,24+,25-,26-;20-,21+,22-,23-;19?,21-,22+,23-,25-;18-,19+,20-,21-/m0000/s1.
What are the key properties of ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate?
ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate has a molecular weight of 2383.72 g/mol, XLogP of 4.40, 63 rotatable bonds, 19 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate is sourced from PubChem (CID 158257547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).