ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate

C116H167FN18O28S — CID 160937505

IUPACethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1.CCOC(=O)/C=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cc(C)on1.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1
InChIInChI=1S/C30H38FN5O7.C30H44N4O7S.C28H43N5O7.C28H42N4O7/c1-5-42-25(37)11-10-22(16-20-12-13-32-27(20)38)33-28(39)23(15-19-6-8-21(31)9-7-19)34-30(41)26(17(2)3)35-29(40)24-14-18(4)43-36-24;1-5-40-26(35)12-11-23(18-22-13-15-31-27(22)36)32-28(37)24(14-16-42-4)33-29(38)25(17-20(2)3)34-30(39)41-19-21-9-7-6-8-10-21;1-7-39-24(34)9-8-20(15-19-10-11-29-25(19)35)30-26(36)21(12-16(2)3)31-27(37)22(13-17(4)5)32-28(38)23-14-18(6)40-33-23;1-6-38-24(33)10-9-20(16-19-11-12-29-25(19)34)30-26(35)21(14-17(2)3)31-27(36)22(15-18(4)5)32-28(37)23-8-7-13-39-23/h6-11,14,17,20,22-23,26H,5,12-13,15-16H2,1-4H3,(H,32,38)(H,33,39)(H,34,41)(H,35,40);6-12,20,22-25H,5,13-19H2,1-4H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39);8-9,14,16-17,19-22H,7,10-13,15H2,1-6H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38);7-10,13,17-22H,6,11-12,14-16H2,1-5H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/b11-10+;12-11+;9-8+;10-9+/t20?,22-,23+,26+;22?,23-,24+,25+;2*19-,20+,21-,22-/m1100/s1
InChIKeySUBIVXNKBAOLCJ-QMKVOSDISA-N
MW2312.77 g/mol
LogP8.30
Rot. Bonds61

About ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate

ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate (PubChem CID 160937505) has the molecular formula C116H167FN18O28S and a molecular weight of 2312.77 g/mol. Its IUPAC name is ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
PubChem CID160937505
Molecular FormulaC116H167FN18O28S
Molecular Weight2312.77 g/mol
Exact Mass2311.19
IUPAC Nameethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate
SMILESCCOC(=O)/C=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1.CCOC(=O)/C=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cc(C)on1.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1
InChIInChI=1S/C30H38FN5O7.C30H44N4O7S.C28H43N5O7.C28H42N4O7/c1-5-42-25(37)11-10-22(16-20-12-13-32-27(20)38)33-28(39)23(15-19-6-8-21(31)9-7-19)34-30(41)26(17(2)3)35-29(40)24-14-18(4)43-36-24;1-5-40-26(35)12-11-23(18-22-13-15-31-27(22)36)32-28(37)24(14-16-42-4)33-29(38)25(17-20(2)3)34-30(39)41-19-21-9-7-6-8-10-21;1-7-39-24(34)9-8-20(15-19-10-11-29-25(19)35)30-26(36)21(12-16(2)3)31-27(37)22(13-17(4)5)32-28(38)23-14-18(6)40-33-23;1-6-38-24(33)10-9-20(16-19-11-12-29-25(19)34)30-26(35)21(14-17(2)3)31-27(36)22(15-18(4)5)32-28(37)23-8-7-13-39-23/h6-11,14,17,20,22-23,26H,5,12-13,15-16H2,1-4H3,(H,32,38)(H,33,39)(H,34,41)(H,35,40);6-12,20,22-25H,5,13-19H2,1-4H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39);8-9,14,16-17,19-22H,7,10-13,15H2,1-6H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38);7-10,13,17-22H,6,11-12,14-16H2,1-5H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/b11-10+;12-11+;9-8+;10-9+/t20?,22-,23+,26+;22?,23-,24+,25+;2*19-,20+,21-,22-/m1100/s1
InChIKeySUBIVXNKBAOLCJ-QMKVOSDISA-N
XLogP8.30
TPSA645.23 Ų
H-Bond Donors16
H-Bond Acceptors31
Rotatable Bonds61
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002312.77
LogP ≤ 58.30
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1031

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)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[[5-[5-[3-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propylcarbamoyl]-1,2-oxazol-5-yl]thiophen-2-yl]oxane-2-carbonyl]amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131991789
CID 157127200
CID 157127200
CID 158436519
CID 158436519
3-(azidomethyl)-5-(furan-2-yl)-1,2-oxazole;ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol;[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl methanesulfonate;N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-phenylacetamide
CID 159290021
5-(4-fluorophenyl)-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-N-prop-2-enyl-1,2-oxazole-3-carboxamide
CID 160553986

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
The IUPAC name of ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate (CID 160937505) is ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate.
What is the SMILES notation for ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
The canonical SMILES for ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate is CCOC(=O)/C=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1.CCOC(=O)/C=C/[C@H](CC1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1cc(C)on1.CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccco1.
What is the InChIKey of ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
The InChIKey is SUBIVXNKBAOLCJ-QMKVOSDISA-N. The full InChI is InChI=1S/C30H38FN5O7.C30H44N4O7S.C28H43N5O7.C28H42N4O7/c1-5-42-25(37)11-10-22(16-20-12-13-32-27(20)38)33-28(39)23(15-19-6-8-21(31)9-7-19)34-30(41)26(17(2)3)35-29(40)24-14-18(4)43-36-24;1-5-40-26(35)12-11-23(18-22-13-15-31-27(22)36)32-28(37)24(14-16-42-4)33-29(38)25(17-20(2)3)34-30(39)41-19-21-9-7-6-8-10-21;1-7-39-24(34)9-8-20(15-19-10-11-29-25(19)35)30-26(36)21(12-16(2)3)31-27(37)22(13-17(4)5)32-28(38)23-14-18(6)40-33-23;1-6-38-24(33)10-9-20(16-19-11-12-29-25(19)34)30-26(35)21(14-17(2)3)31-27(36)22(15-18(4)5)32-28(37)23-8-7-13-39-23/h6-11,14,17,20,22-23,26H,5,12-13,15-16H2,1-4H3,(H,32,38)(H,33,39)(H,34,41)(H,35,40);6-12,20,22-25H,5,13-19H2,1-4H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39);8-9,14,16-17,19-22H,7,10-13,15H2,1-6H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38);7-10,13,17-22H,6,11-12,14-16H2,1-5H3,(H,29,34)(H,30,35)(H,31,36)(H,32,37)/b11-10+;12-11+;9-8+;10-9+/t20?,22-,23+,26+;22?,23-,24+,25+;2*19-,20+,21-,22-/m1100/s1.
What are the key properties of ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate?
ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate has a molecular weight of 2312.77 g/mol, XLogP of 8.30, 61 rotatable bonds, 16 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4S)-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-2-(furan-2-carbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]pentanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate;ethyl (E,4S)-4-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(2-oxopyrrolidin-3-yl)pent-2-enoate is sourced from PubChem (CID 160937505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).