(2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide

C256H425N25O63 — CID 167695345

IUPAC(2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide
SMILESC=C(C)NCCC[C@H](NC(=O)[C@H](CCCNC(C)=O)CC(C)=O)C(=O)C(C)C.CC(=O)CC[C@H](CC(=O)CC[C@H](NC(=O)CCC(=O)CCCCC(=O)C(C)C)C(C)=O)C(C)=O.CC(=O)CC[C@H](CC(=O)CC[C@H](NC(=O)CC[C@H](CC(=O)CC[C@H](NC(=O)CCCCC(=O)C(C)C)C(C)=O)C(C)=O)C(C)=O)C(C)=O.CC(=O)CC[C@H](NC(=O)CCC(CC(=O)CC[C@H](NC(=O)CCC(CC(=O)CC[C@H](NC(=O)CCCCC(=O)C(C)C)C(C)=O)C(C)=O)C(C)=O)C(C)=O)C(C)=O.CC(=O)CC[C@H](NC(=O)CCC(CC(=O)CC[C@H](NC(=O)CCCCC(=O)C(C)C)C(C)=O)C(C)=O)C(C)=O.CC(=O)C[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)CCCCCCC(=O)C(C)C.CC(=O)NCCCC[C@H](NC(C)=O)C(=O)CCCCC[C@H](NC(C)=O)C(=O)NCCCCCC(=O)C(C)C.CC(=O)NCCCC[C@H](NC(C)=O)C(=O)CCCCC[C@H](NC(C)=O)C(=O)NCCCC[C@H](NC(C)=O)C(=O)CCCCC[C@H](NC(C)=O)C(=O)NCCCCCC(=O)C(C)C
InChIInChI=1S/C45H79N7O10.C42H65N3O12.C36H56N2O10.C29H51N3O6.C29H46N2O8.C28H50N4O6.C26H41NO7.C21H37N3O4/c1-31(2)41(58)25-15-10-18-29-47-44(61)39(51-35(6)56)23-11-8-14-27-43(60)38(50-34(5)55)22-17-20-30-48-45(62)40(52-36(7)57)24-12-9-13-26-42(59)37(49-33(4)54)21-16-19-28-46-32(3)53;1-25(2)39(54)11-9-10-12-40(55)43-37(30(7)50)19-16-34(52)23-33(28(5)48)15-22-42(57)45-38(31(8)51)20-17-35(53)24-32(27(4)47)14-21-41(56)44-36(29(6)49)18-13-26(3)46;1-22(2)34(46)10-8-9-11-35(47)37-32(26(6)42)17-15-31(45)21-29(25(5)41)14-19-36(48)38-33(27(7)43)18-16-30(44)20-28(24(4)40)13-12-23(3)39;1-21(2)27(36)16-8-6-7-9-17-28(37)26(15-11-13-19-31-24(5)35)32-29(38)25(20-22(3)33)14-10-12-18-30-23(4)34;1-18(2)27(37)9-7-8-10-28(38)30-26(22(6)35)15-13-24(36)17-23(20(4)33)12-16-29(39)31-25(21(5)34)14-11-19(3)32;1-20(2)26(36)16-10-7-12-19-30-28(38)25(32-23(5)35)15-8-6-9-17-27(37)24(31-22(4)34)14-11-13-18-29-21(3)33;1-17(2)25(33)9-7-6-8-22(31)13-15-26(34)27-24(20(5)30)14-12-23(32)16-21(19(4)29)11-10-18(3)28;1-14(2)20(27)19(10-8-11-22-15(3)4)24-21(28)18(13-16(5)25)9-7-12-23-17(6)26/h31,37-40H,8-30H2,1-7H3,(H,46,53)(H,47,61)(H,48,62)(H,49,54)(H,50,55)(H,51,56)(H,52,57);25,32-33,36-38H,9-24H2,1-8H3,(H,43,55)(H,44,56)(H,45,57);22,28-29,32-33H,8-21H2,1-7H3,(H,37,47)(H,38,48);21,25-26H,6-20H2,1-5H3,(H,30,34)(H,31,35)(H,32,38);18,23,25-26H,7-17H2,1-6H3,(H,30,38)(H,31,39);20,24-25H,6-19H2,1-5H3,(H,29,33)(H,30,38)(H,31,34)(H,32,35);17,21,24H,6-16H2,1-5H3,(H,27,34);14,18-19,22H,3,7-13H2,1-2,4-6H3,(H,23,26)(H,24,28)/t37-,38-,39-,40-;32?,33?,36-,37-,38-;28-,29-,32+,33+;25-,26+;23?,25-,26-;24-,25-;21-,24+;18-,19+/m00110011/s1
InChIKeyXOLZJTRLLPCXIQ-MRTKBNGWSA-N
MW4861.33 g/mol
LogP26.48
Rot. Bonds200

About (2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide

(2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide (PubChem CID 167695345) has the molecular formula C256H425N25O63 and a molecular weight of 4861.33 g/mol. Its IUPAC name is (2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide.

Molecular Properties

Compound Name(2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide
PubChem CID167695345
Molecular FormulaC256H425N25O63
Molecular Weight4861.33 g/mol
Exact Mass4858.08
IUPAC Name(2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide
SMILESC=C(C)NCCC[C@H](NC(=O)[C@H](CCCNC(C)=O)CC(C)=O)C(=O)C(C)C.CC(=O)CC[C@H](CC(=O)CC[C@H](NC(=O)CCC(=O)CCCCC(=O)C(C)C)C(C)=O)C(C)=O.CC(=O)CC[C@H](CC(=O)CC[C@H](NC(=O)CC[C@H](CC(=O)CC[C@H](NC(=O)CCCCC(=O)C(C)C)C(C)=O)C(C)=O)C(C)=O)C(C)=O.CC(=O)CC[C@H](NC(=O)CCC(CC(=O)CC[C@H](NC(=O)CCC(CC(=O)CC[C@H](NC(=O)CCCCC(=O)C(C)C)C(C)=O)C(C)=O)C(C)=O)C(C)=O)C(C)=O.CC(=O)CC[C@H](NC(=O)CCC(CC(=O)CC[C@H](NC(=O)CCCCC(=O)C(C)C)C(C)=O)C(C)=O)C(C)=O.CC(=O)C[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)CCCCCCC(=O)C(C)C.CC(=O)NCCCC[C@H](NC(C)=O)C(=O)CCCCC[C@H](NC(C)=O)C(=O)NCCCCCC(=O)C(C)C.CC(=O)NCCCC[C@H](NC(C)=O)C(=O)CCCCC[C@H](NC(C)=O)C(=O)NCCCC[C@H](NC(C)=O)C(=O)CCCCC[C@H](NC(C)=O)C(=O)NCCCCCC(=O)C(C)C
InChIInChI=1S/C45H79N7O10.C42H65N3O12.C36H56N2O10.C29H51N3O6.C29H46N2O8.C28H50N4O6.C26H41NO7.C21H37N3O4/c1-31(2)41(58)25-15-10-18-29-47-44(61)39(51-35(6)56)23-11-8-14-27-43(60)38(50-34(5)55)22-17-20-30-48-45(62)40(52-36(7)57)24-12-9-13-26-42(59)37(49-33(4)54)21-16-19-28-46-32(3)53;1-25(2)39(54)11-9-10-12-40(55)43-37(30(7)50)19-16-34(52)23-33(28(5)48)15-22-42(57)45-38(31(8)51)20-17-35(53)24-32(27(4)47)14-21-41(56)44-36(29(6)49)18-13-26(3)46;1-22(2)34(46)10-8-9-11-35(47)37-32(26(6)42)17-15-31(45)21-29(25(5)41)14-19-36(48)38-33(27(7)43)18-16-30(44)20-28(24(4)40)13-12-23(3)39;1-21(2)27(36)16-8-6-7-9-17-28(37)26(15-11-13-19-31-24(5)35)32-29(38)25(20-22(3)33)14-10-12-18-30-23(4)34;1-18(2)27(37)9-7-8-10-28(38)30-26(22(6)35)15-13-24(36)17-23(20(4)33)12-16-29(39)31-25(21(5)34)14-11-19(3)32;1-20(2)26(36)16-10-7-12-19-30-28(38)25(32-23(5)35)15-8-6-9-17-27(37)24(31-22(4)34)14-11-13-18-29-21(3)33;1-17(2)25(33)9-7-6-8-22(31)13-15-26(34)27-24(20(5)30)14-12-23(32)16-21(19(4)29)11-10-18(3)28;1-14(2)20(27)19(10-8-11-22-15(3)4)24-21(28)18(13-16(5)25)9-7-12-23-17(6)26/h31,37-40H,8-30H2,1-7H3,(H,46,53)(H,47,61)(H,48,62)(H,49,54)(H,50,55)(H,51,56)(H,52,57);25,32-33,36-38H,9-24H2,1-8H3,(H,43,55)(H,44,56)(H,45,57);22,28-29,32-33H,8-21H2,1-7H3,(H,37,47)(H,38,48);21,25-26H,6-20H2,1-5H3,(H,30,34)(H,31,35)(H,32,38);18,23,25-26H,7-17H2,1-6H3,(H,30,38)(H,31,39);20,24-25H,6-19H2,1-5H3,(H,29,33)(H,30,38)(H,31,34)(H,32,35);17,21,24H,6-16H2,1-5H3,(H,27,34);14,18-19,22H,3,7-13H2,1-2,4-6H3,(H,23,26)(H,24,28)/t37-,38-,39-,40-;32?,33?,36-,37-,38-;28-,29-,32+,33+;25-,26+;23?,25-,26-;24-,25-;21-,24+;18-,19+/m00110011/s1
InChIKeyXOLZJTRLLPCXIQ-MRTKBNGWSA-N
XLogP26.48
TPSA1376.16 Ų
H-Bond Donors25
H-Bond Acceptors64
Rotatable Bonds200
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004861.33
LogP ≤ 526.48
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1064

Analyze (2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide
CID 167695347
9-[4-[[2-[4-[[2-[4-[[2-[4-(6-acetamidohexanoylamino)butyl]-4,11-dioxododecanoyl]amino]butyl]-4,11-dioxododecanoyl]amino]butyl]-4,11-dioxododecanoyl]amino]butyl]-8,11,18-trioxononadecanamide
CID 163924459
(2R,7S)-2-[3-[[(5S)-6-[[(5R)-5-acetyl-7-oxooctyl]amino]-5-amino-6-oxohexyl]amino]-3-oxopropyl]-7-(17-carboxyheptadecanoylamino)-4-oxooctanedioic acid
CID 160685418
N-[6-[2-[[2-(hexadecanoylamino)-5-oxohexanoyl]amino]ethylamino]-2,6-dioxohexan-3-yl]hexadecanamide
CID 59449931
(2R,7S)-7-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4R,9S)-4,9-dicarboxy-9-[[(4R)-4-carboxy-6-oxoheptanoyl]amino]-6-oxononanoyl]amino]butanoyl]amino]butanoyl]amino]-2-[3-[[(1S,6R)-1,6-dicarboxy-9-[[(1S)-1-carboxy-4-[[(5S)-5-methyl-6-oxoheptyl]amino]-4-oxobutyl]amino]-4,9-dioxononyl]amino]-3-oxopropyl]-4-oxooctanedioic acid;molecular hydrogen
CID 159044178
2-methyl-4,7-bis(propan-2-ylamino)heptan-3-one;9-(6-methylheptanoylamino)-4-oxo-N-propan-2-yl-5-(propan-2-ylamino)-2-[4-(propan-2-ylamino)butyl]nonanamide;6-methyl-N-[7-methyl-6-oxo-5-(propan-2-ylamino)octyl]heptanamide
CID 164958886
6-methyl-N-[5-(6-methylheptanoylamino)-12-(6-methylheptylamino)-8-(2-methylpropanoyl)-6-oxododecyl]heptanamide
CID 161155649
(2R)-11-[[(1S)-1-carboxy-5-methyl-4-oxohexyl]amino]-2-(4-methyl-3-oxopentyl)-4,11-dioxoundecanoic acid
CID 147169147
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
(2R,7S)-2-[3-[[(1S)-1-carboxy-4-[[(5S)-5-methyl-6-oxoheptyl]amino]-4-oxobutyl]amino]-3-oxopropyl]-7-(15-carboxypentadecanoylamino)-4-oxooctanedioic acid;molecular hydrogen
CID 159728248
(2R,7S)-7-acetamido-2-[3-[[(1S)-1-carboxy-4-oxopentyl]amino]-3-oxopropyl]-4-oxooctanedioic acid
CID 158843052

Frequently Asked Questions

What is the IUPAC name of (2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide?
The IUPAC name of (2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide (CID 167695345) is (2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide.
What is the SMILES notation for (2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide?
The canonical SMILES for (2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide is C=C(C)NCCC[C@H](NC(=O)[C@H](CCCNC(C)=O)CC(C)=O)C(=O)C(C)C.CC(=O)CC[C@H](CC(=O)CC[C@H](NC(=O)CCC(=O)CCCCC(=O)C(C)C)C(C)=O)C(C)=O.CC(=O)CC[C@H](CC(=O)CC[C@H](NC(=O)CC[C@H](CC(=O)CC[C@H](NC(=O)CCCCC(=O)C(C)C)C(C)=O)C(C)=O)C(C)=O)C(C)=O.CC(=O)CC[C@H](NC(=O)CCC(CC(=O)CC[C@H](NC(=O)CCC(CC(=O)CC[C@H](NC(=O)CCCCC(=O)C(C)C)C(C)=O)C(C)=O)C(C)=O)C(C)=O)C(C)=O.CC(=O)CC[C@H](NC(=O)CCC(CC(=O)CC[C@H](NC(=O)CCCCC(=O)C(C)C)C(C)=O)C(C)=O)C(C)=O.CC(=O)C[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)CCCCCCC(=O)C(C)C.CC(=O)NCCCC[C@H](NC(C)=O)C(=O)CCCCC[C@H](NC(C)=O)C(=O)NCCCCCC(=O)C(C)C.CC(=O)NCCCC[C@H](NC(C)=O)C(=O)CCCCC[C@H](NC(C)=O)C(=O)NCCCC[C@H](NC(C)=O)C(=O)CCCCC[C@H](NC(C)=O)C(=O)NCCCCCC(=O)C(C)C.
What is the InChIKey of (2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide?
The InChIKey is XOLZJTRLLPCXIQ-MRTKBNGWSA-N. The full InChI is InChI=1S/C45H79N7O10.C42H65N3O12.C36H56N2O10.C29H51N3O6.C29H46N2O8.C28H50N4O6.C26H41NO7.C21H37N3O4/c1-31(2)41(58)25-15-10-18-29-47-44(61)39(51-35(6)56)23-11-8-14-27-43(60)38(50-34(5)55)22-17-20-30-48-45(62)40(52-36(7)57)24-12-9-13-26-42(59)37(49-33(4)54)21-16-19-28-46-32(3)53;1-25(2)39(54)11-9-10-12-40(55)43-37(30(7)50)19-16-34(52)23-33(28(5)48)15-22-42(57)45-38(31(8)51)20-17-35(53)24-32(27(4)47)14-21-41(56)44-36(29(6)49)18-13-26(3)46;1-22(2)34(46)10-8-9-11-35(47)37-32(26(6)42)17-15-31(45)21-29(25(5)41)14-19-36(48)38-33(27(7)43)18-16-30(44)20-28(24(4)40)13-12-23(3)39;1-21(2)27(36)16-8-6-7-9-17-28(37)26(15-11-13-19-31-24(5)35)32-29(38)25(20-22(3)33)14-10-12-18-30-23(4)34;1-18(2)27(37)9-7-8-10-28(38)30-26(22(6)35)15-13-24(36)17-23(20(4)33)12-16-29(39)31-25(21(5)34)14-11-19(3)32;1-20(2)26(36)16-10-7-12-19-30-28(38)25(32-23(5)35)15-8-6-9-17-27(37)24(31-22(4)34)14-11-13-18-29-21(3)33;1-17(2)25(33)9-7-6-8-22(31)13-15-26(34)27-24(20(5)30)14-12-23(32)16-21(19(4)29)11-10-18(3)28;1-14(2)20(27)19(10-8-11-22-15(3)4)24-21(28)18(13-16(5)25)9-7-12-23-17(6)26/h31,37-40H,8-30H2,1-7H3,(H,46,53)(H,47,61)(H,48,62)(H,49,54)(H,50,55)(H,51,56)(H,52,57);25,32-33,36-38H,9-24H2,1-8H3,(H,43,55)(H,44,56)(H,45,57);22,28-29,32-33H,8-21H2,1-7H3,(H,37,47)(H,38,48);21,25-26H,6-20H2,1-5H3,(H,30,34)(H,31,35)(H,32,38);18,23,25-26H,7-17H2,1-6H3,(H,30,38)(H,31,39);20,24-25H,6-19H2,1-5H3,(H,29,33)(H,30,38)(H,31,34)(H,32,35);17,21,24H,6-16H2,1-5H3,(H,27,34);14,18-19,22H,3,7-13H2,1-2,4-6H3,(H,23,26)(H,24,28)/t37-,38-,39-,40-;32?,33?,36-,37-,38-;28-,29-,32+,33+;25-,26+;23?,25-,26-;24-,25-;21-,24+;18-,19+/m00110011/s1.
What are the key properties of (2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide?
(2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide has a molecular weight of 4861.33 g/mol, XLogP of 26.48, 200 rotatable bonds, 25 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-acetamido-N-[(5S)-1-acetamido-14-methyl-6,13-dioxopentadecan-5-yl]-2-(2-oxopropyl)hexanamide;(2R)-2-(3-acetamidopropyl)-N-[(4S)-6-methyl-5-oxo-1-(prop-1-en-2-ylamino)heptan-4-yl]-4-oxopentanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-11-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6,11-trioxoundecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;(4R,9S)-4-acetyl-N-[(3S)-2,6-dioxoheptan-3-yl]-9-[(7-methyl-6-oxooctanoyl)amino]-6,10-dioxoundecanamide;N-[(3S,8R)-8-acetyl-2,6,11-trioxododecan-3-yl]-10-methyl-4,9-dioxoundecanamide;(2S,9S)-2,9,13-triacetamido-N-[(5S,12S)-5,12-diacetamido-13-[(7-methyl-6-oxooctyl)amino]-6,13-dioxotridecyl]-8-oxotridecanamide;(2S,9S)-2,9,13-triacetamido-N-(7-methyl-6-oxooctyl)-8-oxotridecanamide is sourced from PubChem (CID 167695345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).