bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane

C165H264N28O27 — CID 158543589

IUPACbis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane
SMILESC.CC(C)C[C@H](N)C(=O)Nc1ccc(OCCCCCN)c(C(N)=O)c1.CCCCCCOc1ccc(N)cc1C(=O)N[C@@H](CCCC)C(N)=O.CCCCCCOc1ccc(N)cc1C(=O)N[C@@H](CCCC)C(N)=O.CCCCCCOc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2cc(NC(=O)[C@@H](CC(C)C)NC(=O)c3cc(NC(=O)[C@@H](N)CC(C)C)ccc3OCCCCCN)ccc2OCCCCCN)cc1C(N)=O.CCCCCCOc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2cc(NC(=O)[C@H](N)CC(C)C)ccc2OCCCCCN)cc1C(N)=O.CCCOc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1C(N)=O
InChIInChI=1S/C55H85N9O9.C37H58N6O6.2C19H31N3O3.C18H30N4O3.C16H25N3O3.CH4/c1-8-9-10-15-26-71-47-21-18-38(32-41(47)50(59)65)61-54(69)45(30-36(4)5)63-52(67)43-34-40(20-23-49(43)73-28-17-12-14-25-57)62-55(70)46(31-37(6)7)64-51(66)42-33-39(60-53(68)44(58)29-35(2)3)19-22-48(42)72-27-16-11-13-24-56;1-6-7-8-11-18-48-32-15-13-26(22-28(32)34(40)44)42-37(47)31(21-25(4)5)43-35(45)29-23-27(41-36(46)30(39)20-24(2)3)14-16-33(29)49-19-12-9-10-17-38;2*1-3-5-7-8-12-25-17-11-10-14(20)13-15(17)19(24)22-16(18(21)23)9-6-4-2;1-12(2)10-15(20)18(24)22-13-6-7-16(14(11-13)17(21)23)25-9-5-3-4-8-19;1-4-7-22-14-6-5-11(9-12(14)15(18)20)19-16(21)13(17)8-10(2)3;/h18-23,32-37,44-46H,8-17,24-31,56-58H2,1-7H3,(H2,59,65)(H,60,68)(H,61,69)(H,62,70)(H,63,67)(H,64,66);13-16,22-25,30-31H,6-12,17-21,38-39H2,1-5H3,(H2,40,44)(H,41,46)(H,42,47)(H,43,45);2*10-11,13,16H,3-9,12,20H2,1-2H3,(H2,21,23)(H,22,24);6-7,11-12,15H,3-5,8-10,19-20H2,1-2H3,(H2,21,23)(H,22,24);5-6,9-10,13H,4,7-8,17H2,1-3H3,(H2,18,20)(H,19,21);1H4/t44-,45-,46+;30-,31+;2*16-;15-;13-;/m010000./s1
InChIKeyHOVHQYYJRPWOQP-FJCMJVSHSA-N
MW3072.10 g/mol
LogP23.12
Rot. Bonds101

About bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane

bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane (PubChem CID 158543589) has the molecular formula C165H264N28O27 and a molecular weight of 3072.10 g/mol. Its IUPAC name is bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane.

Molecular Properties

Compound Namebis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane
PubChem CID158543589
Molecular FormulaC165H264N28O27
Molecular Weight3072.10 g/mol
Exact Mass3070.01
IUPAC Namebis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane
SMILESC.CC(C)C[C@H](N)C(=O)Nc1ccc(OCCCCCN)c(C(N)=O)c1.CCCCCCOc1ccc(N)cc1C(=O)N[C@@H](CCCC)C(N)=O.CCCCCCOc1ccc(N)cc1C(=O)N[C@@H](CCCC)C(N)=O.CCCCCCOc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2cc(NC(=O)[C@@H](CC(C)C)NC(=O)c3cc(NC(=O)[C@@H](N)CC(C)C)ccc3OCCCCCN)ccc2OCCCCCN)cc1C(N)=O.CCCCCCOc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2cc(NC(=O)[C@H](N)CC(C)C)ccc2OCCCCCN)cc1C(N)=O.CCCOc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1C(N)=O
InChIInChI=1S/C55H85N9O9.C37H58N6O6.2C19H31N3O3.C18H30N4O3.C16H25N3O3.CH4/c1-8-9-10-15-26-71-47-21-18-38(32-41(47)50(59)65)61-54(69)45(30-36(4)5)63-52(67)43-34-40(20-23-49(43)73-28-17-12-14-25-57)62-55(70)46(31-37(6)7)64-51(66)42-33-39(60-53(68)44(58)29-35(2)3)19-22-48(42)72-27-16-11-13-24-56;1-6-7-8-11-18-48-32-15-13-26(22-28(32)34(40)44)42-37(47)31(21-25(4)5)43-35(45)29-23-27(41-36(46)30(39)20-24(2)3)14-16-33(29)49-19-12-9-10-17-38;2*1-3-5-7-8-12-25-17-11-10-14(20)13-15(17)19(24)22-16(18(21)23)9-6-4-2;1-12(2)10-15(20)18(24)22-13-6-7-16(14(11-13)17(21)23)25-9-5-3-4-8-19;1-4-7-22-14-6-5-11(9-12(14)15(18)20)19-16(21)13(17)8-10(2)3;/h18-23,32-37,44-46H,8-17,24-31,56-58H2,1-7H3,(H2,59,65)(H,60,68)(H,61,69)(H,62,70)(H,63,67)(H,64,66);13-16,22-25,30-31H,6-12,17-21,38-39H2,1-5H3,(H2,40,44)(H,41,46)(H,42,47)(H,43,45);2*10-11,13,16H,3-9,12,20H2,1-2H3,(H2,21,23)(H,22,24);6-7,11-12,15H,3-5,8-10,19-20H2,1-2H3,(H2,21,23)(H,22,24);5-6,9-10,13H,4,7-8,17H2,1-3H3,(H2,18,20)(H,19,21);1H4/t44-,45-,46+;30-,31+;2*16-;15-;13-;/m010000./s1
InChIKeyHOVHQYYJRPWOQP-FJCMJVSHSA-N
XLogP23.12
TPSA951.01 Ų
H-Bond Donors28
H-Bond Acceptors37
Rotatable Bonds101
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003072.10
LogP ≤ 523.12
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane with MolForge

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Related Compounds

5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide
CID 89176474
5-[(3-amino-5-methylhex-1-en-2-yl)amino]-2-(5-aminopentoxy)-N-[1-[[(E)-but-2-en-2-yl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 142943709
N-[(2S)-5-amino-1-[3-[[(2S)-6-amino-1-[3-[[(2S)-5-amino-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxopentan-2-yl]-5-[[(2S)-2,5-diaminopentanoyl]amino]-2-methoxybenzamide
CID 134323178
2-[2-[[(2S)-6-amino-1-[3-[[(2S)-6-amino-1-[3-[[(2S)-7-amino-1-(3-carbamoyl-4-methoxyanilino)-1-oxoheptan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]carbamoyl]-4-[[(2S)-2,6-diaminohexanoyl]amino]phenoxy]acetic acid
CID 130309980
2-[4-[[6-amino-2-[[5-[[6-amino-2-[[5-[[6-amino-2-[[5-(2,6-diaminohexanoylamino)-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-carbamoylphenoxy]acetic acid
CID 76733399
N-[(2S)-1-[3-[[(2S)-7-amino-1-[3-[[(2S)-6-amino-1-(3-carbamoyl-4-methoxyanilino)-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxoheptan-2-yl]carbamoyl]-4-methoxyanilino]-6-(diaminomethylideneamino)-1-oxohexan-2-yl]-5-[[(2S)-2,6-diaminohexanoyl]amino]-2-methoxybenzamide
CID 134323172
5-[(2-aminoacetyl)amino]-2-(5-aminopentoxy)-N-[(2S)-1-[4-(5-aminopentoxy)-3-(1-hydroxy-2-methylprop-2-enyl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 144646320
5-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-[3-[[(2R)-1-[3-[[(2R)-1-(3-carbamoyl-4-ethoxyanilino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-methoxybenzamide
CID 89215313
N-[(2R)-1-[3-[[(2R)-1-[3-[[(2R)-5-amino-1-(3-carbamoyl-4-methoxyanilino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4-methoxyanilino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-[[(2R)-2,6-diaminohexanoyl]amino]-2-methoxybenzamide
CID 122591473
5-[[(2S)-6-amino-2-[[5-[[6-amino-2-[[5-[[(2S)-6-amino-2-[[5-[[(2S)-2,6-diaminohexanoyl]amino]-2-methylsulfanylbenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzoyl]amino]hexanoyl]amino]-2-methoxybenzamide
CID 134323028
N-[(2S)-1-[3-[[(2S)-6-amino-1-[3-[[(2S)-6-amino-1-(3-carbamoyl-4-methoxyanilino)-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-5-(carbamoylamino)-1-oxopentan-2-yl]-5-[[(2S)-2,6-diaminohexanoyl]amino]-2-methoxybenzamide
CID 58359574
N-[(2S)-6-amino-1-[3-[[(2S)-6-amino-1-[3-[[(2S)-6-amino-1-(3-carbamoyl-4-methylsulfanylanilino)-1-oxohexan-2-yl]carbamoyl]-4-methylsulfanylanilino]-1-oxohexan-2-yl]carbamoyl]-4-methoxyanilino]-1-oxohexan-2-yl]-5-[[(2S)-2,6-diaminohexanoyl]amino]-2-methoxybenzamide
CID 58359541

Frequently Asked Questions

What is the IUPAC name of bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane?
The IUPAC name of bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane (CID 158543589) is bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane.
What is the SMILES notation for bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane?
The canonical SMILES for bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane is C.CC(C)C[C@H](N)C(=O)Nc1ccc(OCCCCCN)c(C(N)=O)c1.CCCCCCOc1ccc(N)cc1C(=O)N[C@@H](CCCC)C(N)=O.CCCCCCOc1ccc(N)cc1C(=O)N[C@@H](CCCC)C(N)=O.CCCCCCOc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2cc(NC(=O)[C@@H](CC(C)C)NC(=O)c3cc(NC(=O)[C@@H](N)CC(C)C)ccc3OCCCCCN)ccc2OCCCCCN)cc1C(N)=O.CCCCCCOc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2cc(NC(=O)[C@H](N)CC(C)C)ccc2OCCCCCN)cc1C(N)=O.CCCOc1ccc(NC(=O)[C@@H](N)CC(C)C)cc1C(N)=O.
What is the InChIKey of bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane?
The InChIKey is HOVHQYYJRPWOQP-FJCMJVSHSA-N. The full InChI is InChI=1S/C55H85N9O9.C37H58N6O6.2C19H31N3O3.C18H30N4O3.C16H25N3O3.CH4/c1-8-9-10-15-26-71-47-21-18-38(32-41(47)50(59)65)61-54(69)45(30-36(4)5)63-52(67)43-34-40(20-23-49(43)73-28-17-12-14-25-57)62-55(70)46(31-37(6)7)64-51(66)42-33-39(60-53(68)44(58)29-35(2)3)19-22-48(42)72-27-16-11-13-24-56;1-6-7-8-11-18-48-32-15-13-26(22-28(32)34(40)44)42-37(47)31(21-25(4)5)43-35(45)29-23-27(41-36(46)30(39)20-24(2)3)14-16-33(29)49-19-12-9-10-17-38;2*1-3-5-7-8-12-25-17-11-10-14(20)13-15(17)19(24)22-16(18(21)23)9-6-4-2;1-12(2)10-15(20)18(24)22-13-6-7-16(14(11-13)17(21)23)25-9-5-3-4-8-19;1-4-7-22-14-6-5-11(9-12(14)15(18)20)19-16(21)13(17)8-10(2)3;/h18-23,32-37,44-46H,8-17,24-31,56-58H2,1-7H3,(H2,59,65)(H,60,68)(H,61,69)(H,62,70)(H,63,67)(H,64,66);13-16,22-25,30-31H,6-12,17-21,38-39H2,1-5H3,(H2,40,44)(H,41,46)(H,42,47)(H,43,45);2*10-11,13,16H,3-9,12,20H2,1-2H3,(H2,21,23)(H,22,24);6-7,11-12,15H,3-5,8-10,19-20H2,1-2H3,(H2,21,23)(H,22,24);5-6,9-10,13H,4,7-8,17H2,1-3H3,(H2,18,20)(H,19,21);1H4/t44-,45-,46+;30-,31+;2*16-;15-;13-;/m010000./s1.
What are the key properties of bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane?
bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane has a molecular weight of 3072.10 g/mol, XLogP of 23.12, 101 rotatable bonds, 28 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-amino-N-[(2S)-1-amino-1-oxohexan-2-yl]-2-hexoxybenzamide);5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2R)-1-[4-(5-aminopentoxy)-3-[[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]carbamoyl]anilino]-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)benzamide;5-[[(2R)-2-amino-4-methylpentanoyl]amino]-2-(5-aminopentoxy)-N-[(2S)-1-(3-carbamoyl-4-hexoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide;5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-propoxybenzamide;methane is sourced from PubChem (CID 158543589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).