N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide

C176H269N29O49 — CID 157123500

IUPACN-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide
SMILESCC(C)C(=O)[C@H](C)CC(=O)[C@H](C)NC(=O)CCN1C(=O)C=CC1=O.CC(C)C(=O)[C@H](CCC(=O)O)CC(=O)[C@@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C.CC(C)C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCN1C(=O)C=CC1=O)C(C)C.CC(C)C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@H](C)NC(=O)CCN1C(=O)C=CC1=O.CC(C)C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@H](CC(N)=O)NC(=O)CCN1C(=O)C=CC1=O.CC(C)C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@H](CCCNC(N)=O)NC(=O)CCN1C(=O)C=CC1=O.CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C[C@@H](C)C(=O)C(C)(C)C.CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C[C@@H](CCCNC(N)=O)C(=O)C(C)(C)C
InChIInChI=1S/C26H42N4O6.C24H36N2O7.C23H36N6O7.C23H36N2O5.C22H34N4O6.C21H31N5O7.C20H30N4O6.C17H24N2O5/c1-17(2)23(29-20(32)11-7-6-8-15-30-21(33)12-13-22(30)34)19(31)16-18(24(35)26(3,4)5)10-9-14-28-25(27)36;1-15(2)23(18(27)14-17(9-12-22(31)32)24(33)16(3)4)25-19(28)8-6-5-7-13-26-20(29)10-11-21(26)30;1-14(2)21(34)15(5-3-10-26-22(24)35)13-17(30)16(6-4-11-27-23(25)36)28-18(31)9-12-29-19(32)7-8-20(29)33;1-15(2)21(17(26)14-16(3)22(30)23(4,5)6)24-18(27)10-8-7-9-13-25-19(28)11-12-20(25)29;1-13(2)20(25-17(28)9-11-26-18(29)7-8-19(26)30)16(27)12-15(21(31)14(3)4)6-5-10-24-22(23)32;1-12(2)20(32)13(4-3-8-24-21(23)33)10-15(27)14(11-16(22)28)25-17(29)7-9-26-18(30)5-6-19(26)31;1-12(2)19(29)14(5-4-9-22-20(21)30)11-15(25)13(3)23-16(26)8-10-24-17(27)6-7-18(24)28;1-10(2)17(24)11(3)9-13(20)12(4)18-14(21)7-8-19-15(22)5-6-16(19)23/h12-13,17-18,23H,6-11,14-16H2,1-5H3,(H,29,32)(H3,27,28,36);10-11,15-17,23H,5-9,12-14H2,1-4H3,(H,25,28)(H,31,32);7-8,14-16H,3-6,9-13H2,1-2H3,(H,28,31)(H3,24,26,35)(H3,25,27,36);11-12,15-16,21H,7-10,13-14H2,1-6H3,(H,24,27);7-8,13-15,20H,5-6,9-12H2,1-4H3,(H,25,28)(H3,23,24,32);5-6,12-14H,3-4,7-11H2,1-2H3,(H2,22,28)(H,25,29)(H3,23,24,33);6-7,12-14H,4-5,8-11H2,1-3H3,(H,23,26)(H3,21,22,30);5-6,10-12H,7-9H2,1-4H3,(H,18,21)/t18-,23+;17-,23+;15-,16+;16-,21+;15-,20+;2*13-,14+;11-,12+/m11111101/s1
InChIKeyAIGCYDUHZOGTAW-DQLBWOAWSA-N
MW3575.24 g/mol
LogP7.12
Rot. Bonds112

About N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide

N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide (PubChem CID 157123500) has the molecular formula C176H269N29O49 and a molecular weight of 3575.24 g/mol. Its IUPAC name is N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide.

Molecular Properties

Compound NameN-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide
PubChem CID157123500
Molecular FormulaC176H269N29O49
Molecular Weight3575.24 g/mol
Exact Mass3572.94
IUPAC NameN-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide
SMILESCC(C)C(=O)[C@H](C)CC(=O)[C@H](C)NC(=O)CCN1C(=O)C=CC1=O.CC(C)C(=O)[C@H](CCC(=O)O)CC(=O)[C@@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C.CC(C)C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCN1C(=O)C=CC1=O)C(C)C.CC(C)C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@H](C)NC(=O)CCN1C(=O)C=CC1=O.CC(C)C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@H](CC(N)=O)NC(=O)CCN1C(=O)C=CC1=O.CC(C)C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@H](CCCNC(N)=O)NC(=O)CCN1C(=O)C=CC1=O.CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C[C@@H](C)C(=O)C(C)(C)C.CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C[C@@H](CCCNC(N)=O)C(=O)C(C)(C)C
InChIInChI=1S/C26H42N4O6.C24H36N2O7.C23H36N6O7.C23H36N2O5.C22H34N4O6.C21H31N5O7.C20H30N4O6.C17H24N2O5/c1-17(2)23(29-20(32)11-7-6-8-15-30-21(33)12-13-22(30)34)19(31)16-18(24(35)26(3,4)5)10-9-14-28-25(27)36;1-15(2)23(18(27)14-17(9-12-22(31)32)24(33)16(3)4)25-19(28)8-6-5-7-13-26-20(29)10-11-21(26)30;1-14(2)21(34)15(5-3-10-26-22(24)35)13-17(30)16(6-4-11-27-23(25)36)28-18(31)9-12-29-19(32)7-8-20(29)33;1-15(2)21(17(26)14-16(3)22(30)23(4,5)6)24-18(27)10-8-7-9-13-25-19(28)11-12-20(25)29;1-13(2)20(25-17(28)9-11-26-18(29)7-8-19(26)30)16(27)12-15(21(31)14(3)4)6-5-10-24-22(23)32;1-12(2)20(32)13(4-3-8-24-21(23)33)10-15(27)14(11-16(22)28)25-17(29)7-9-26-18(30)5-6-19(26)31;1-12(2)19(29)14(5-4-9-22-20(21)30)11-15(25)13(3)23-16(26)8-10-24-17(27)6-7-18(24)28;1-10(2)17(24)11(3)9-13(20)12(4)18-14(21)7-8-19-15(22)5-6-16(19)23/h12-13,17-18,23H,6-11,14-16H2,1-5H3,(H,29,32)(H3,27,28,36);10-11,15-17,23H,5-9,12-14H2,1-4H3,(H,25,28)(H,31,32);7-8,14-16H,3-6,9-13H2,1-2H3,(H,28,31)(H3,24,26,35)(H3,25,27,36);11-12,15-16,21H,7-10,13-14H2,1-6H3,(H,24,27);7-8,13-15,20H,5-6,9-12H2,1-4H3,(H,25,28)(H3,23,24,32);5-6,12-14H,3-4,7-11H2,1-2H3,(H2,22,28)(H,25,29)(H3,23,24,33);6-7,12-14H,4-5,8-11H2,1-3H3,(H,23,26)(H3,21,22,30);5-6,10-12H,7-9H2,1-4H3,(H,18,21)/t18-,23+;17-,23+;15-,16+;16-,21+;15-,20+;2*13-,14+;11-,12+/m11111101/s1
InChIKeyAIGCYDUHZOGTAW-DQLBWOAWSA-N
XLogP7.12
TPSA1216.07 Ų
H-Bond Donors22
H-Bond Acceptors48
Rotatable Bonds112
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003575.24
LogP ≤ 57.12
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1048

Analyze N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide?
The IUPAC name of N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide (CID 157123500) is N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide.
What is the SMILES notation for N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide?
The canonical SMILES for N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide is CC(C)C(=O)[C@H](C)CC(=O)[C@H](C)NC(=O)CCN1C(=O)C=CC1=O.CC(C)C(=O)[C@H](CCC(=O)O)CC(=O)[C@@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C.CC(C)C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCN1C(=O)C=CC1=O)C(C)C.CC(C)C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@H](C)NC(=O)CCN1C(=O)C=CC1=O.CC(C)C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@H](CC(N)=O)NC(=O)CCN1C(=O)C=CC1=O.CC(C)C(=O)[C@H](CCCNC(N)=O)CC(=O)[C@H](CCCNC(N)=O)NC(=O)CCN1C(=O)C=CC1=O.CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C[C@@H](C)C(=O)C(C)(C)C.CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C[C@@H](CCCNC(N)=O)C(=O)C(C)(C)C.
What is the InChIKey of N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide?
The InChIKey is AIGCYDUHZOGTAW-DQLBWOAWSA-N. The full InChI is InChI=1S/C26H42N4O6.C24H36N2O7.C23H36N6O7.C23H36N2O5.C22H34N4O6.C21H31N5O7.C20H30N4O6.C17H24N2O5/c1-17(2)23(29-20(32)11-7-6-8-15-30-21(33)12-13-22(30)34)19(31)16-18(24(35)26(3,4)5)10-9-14-28-25(27)36;1-15(2)23(18(27)14-17(9-12-22(31)32)24(33)16(3)4)25-19(28)8-6-5-7-13-26-20(29)10-11-21(26)30;1-14(2)21(34)15(5-3-10-26-22(24)35)13-17(30)16(6-4-11-27-23(25)36)28-18(31)9-12-29-19(32)7-8-20(29)33;1-15(2)21(17(26)14-16(3)22(30)23(4,5)6)24-18(27)10-8-7-9-13-25-19(28)11-12-20(25)29;1-13(2)20(25-17(28)9-11-26-18(29)7-8-19(26)30)16(27)12-15(21(31)14(3)4)6-5-10-24-22(23)32;1-12(2)20(32)13(4-3-8-24-21(23)33)10-15(27)14(11-16(22)28)25-17(29)7-9-26-18(30)5-6-19(26)31;1-12(2)19(29)14(5-4-9-22-20(21)30)11-15(25)13(3)23-16(26)8-10-24-17(27)6-7-18(24)28;1-10(2)17(24)11(3)9-13(20)12(4)18-14(21)7-8-19-15(22)5-6-16(19)23/h12-13,17-18,23H,6-11,14-16H2,1-5H3,(H,29,32)(H3,27,28,36);10-11,15-17,23H,5-9,12-14H2,1-4H3,(H,25,28)(H,31,32);7-8,14-16H,3-6,9-13H2,1-2H3,(H,28,31)(H3,24,26,35)(H3,25,27,36);11-12,15-16,21H,7-10,13-14H2,1-6H3,(H,24,27);7-8,13-15,20H,5-6,9-12H2,1-4H3,(H,25,28)(H3,23,24,32);5-6,12-14H,3-4,7-11H2,1-2H3,(H2,22,28)(H,25,29)(H3,23,24,33);6-7,12-14H,4-5,8-11H2,1-3H3,(H,23,26)(H3,21,22,30);5-6,10-12H,7-9H2,1-4H3,(H,18,21)/t18-,23+;17-,23+;15-,16+;16-,21+;15-,20+;2*13-,14+;11-,12+/m11111101/s1.
What are the key properties of N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide?
N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide has a molecular weight of 3575.24 g/mol, XLogP of 7.12, 112 rotatable bonds, 22 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,7R)-1-(carbamoylamino)-7-[3-(carbamoylamino)propyl]-9-methyl-5,8-dioxodecan-4-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8-dimethyl-4,7-dioxononan-3-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(3S,6R)-6-[3-(carbamoylamino)propyl]-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-8-methyl-4,7-dioxononanamide;N-[(2S,5R)-5-[3-(carbamoylamino)propyl]-7-methyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;N-[(3S,6R)-6-[3-(carbamoylamino)propyl]-2,8,8-trimethyl-4,7-dioxononan-3-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide;(4R,7S)-7-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-8-methyl-4-(2-methylpropanoyl)-6-oxononanoic acid;6-(2,5-dioxopyrrol-1-yl)-N-[(3S,6R)-2,6,8,8-tetramethyl-4,7-dioxononan-3-yl]hexanamide is sourced from PubChem (CID 157123500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).