[4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate

C73H119N11O17 — CID 165081599

IUPAC[4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate
SMILESCC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)C(C(C)C)N(C)C(=O)COCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)C(NC(=O)CCCCCC(=O)NN)C(C)C)cc1)C(C)C
InChIInChI=1S/C73H119N11O17/c1-15-48(8)66(59(97-13)42-62(89)84-36-23-27-56(84)68(98-14)49(9)69(92)78-50(10)67(91)52-24-18-16-19-25-52)83(12)71(94)55(45(2)3)41-58(86)65(47(6)7)82(11)63(90)44-100-39-38-99-37-35-77-73(96)101-43-51-30-32-54(33-31-51)79-70(93)53(26-22-34-76-72(74)95)40-57(85)64(46(4)5)80-60(87)28-20-17-21-29-61(88)81-75/h16,18-19,24-25,30-33,45-50,53,55-56,59,64-68,91H,15,17,20-23,26-29,34-44,75H2,1-14H3,(H,77,96)(H,78,92)(H,79,93)(H,80,87)(H,81,88)(H3,74,76,95)/t48-,49+,50+,53+,55-,56-,59+,64?,65?,66-,67+,68+/m0/s1
InChIKeyVFILITLUZJKIQP-ZWMSMTBNSA-N
MW1422.81 g/mol
LogP5.86
Rot. Bonds48

About [4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate

[4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate (PubChem CID 165081599) has the molecular formula C73H119N11O17 and a molecular weight of 1422.81 g/mol. Its IUPAC name is [4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name[4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate
PubChem CID165081599
Molecular FormulaC73H119N11O17
Molecular Weight1422.81 g/mol
Exact Mass1421.88
IUPAC Name[4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate
SMILESCC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)C(C(C)C)N(C)C(=O)COCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)C(NC(=O)CCCCCC(=O)NN)C(C)C)cc1)C(C)C
InChIInChI=1S/C73H119N11O17/c1-15-48(8)66(59(97-13)42-62(89)84-36-23-27-56(84)68(98-14)49(9)69(92)78-50(10)67(91)52-24-18-16-19-25-52)83(12)71(94)55(45(2)3)41-58(86)65(47(6)7)82(11)63(90)44-100-39-38-99-37-35-77-73(96)101-43-51-30-32-54(33-31-51)79-70(93)53(26-22-34-76-72(74)95)40-57(85)64(46(4)5)80-60(87)28-20-17-21-29-61(88)81-75/h16,18-19,24-25,30-33,45-50,53,55-56,59,64-68,91H,15,17,20-23,26-29,34-44,75H2,1-14H3,(H,77,96)(H,78,92)(H,79,93)(H,80,87)(H,81,88)(H3,74,76,95)/t48-,49+,50+,53+,55-,56-,59+,64?,65?,66-,67+,68+/m0/s1
InChIKeyVFILITLUZJKIQP-ZWMSMTBNSA-N
XLogP5.86
TPSA388.09 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds48
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001422.81
LogP ≤ 55.86
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxo-5-(6-oxooctanoylamino)heptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-1-[(2R)-2-[(1S,2S)-3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate
CID 159408824
[4-[[(2R,5S)-5-(6-aminooxyhexanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate
CID 162143710
[4-[[(2R,5S)-5-[[2-[2-(11-amino-4,10-dioxoundecoxy)ethoxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate
CID 158833969
[4-[[(2R,5S)-5-[[2-[1,3-bis(4,6-dioxo-3a,6a-dihydro-[1,3]dithiolo[4,5-c]pyrrol-5-yl)propan-2-yloxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate
CID 163475079
[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxo-5-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]heptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R,6S)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate
CID 158915703
(2R,5S)-5-(6-aminooxyhexanoylamino)-2-[3-(carbamoylamino)propyl]-N-[4-[2-[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]phenyl]-6-methyl-4-oxoheptanamide
CID 160866318
[4-[[(2R,5S)-5-[6-(3,4-dibromo-2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6R)-9-(carbamoylamino)-6-[[(3R,4S,5S)-1-[2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2-methyl-4-oxononan-3-yl]-N-methylcarbamate
CID 159960845
[4-[[(5S)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxo-5-(propan-2-ylamino)heptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate
CID 167689581
[4-[[(2R,5S)-5-[[2-[1,3-bis(3-methylsulfanyl-2,5-dioxopyrrol-1-yl)propan-2-yloxy]acetyl]amino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate
CID 163430099
[4-[5-(carbamoylamino)pentanoylamino]phenyl]methyl N-[3-[2-[2-[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-2-oxoethoxy]-2-methylpropoxy]-3-methylbutyl]carbamate
CID 126624507
[4-[[(2R,5S)-5-(butanoylamino)-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;tert-butyl acetate;[2-[[1-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S)-1-[(2S)-2-[(1R,2R)-3-[[(2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]azanium;2,2,2-trifluoroacetic acid
CID 165060448
[4-[[(2R,5S)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate
CID 146954420

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of [4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate (CID 165081599) is [4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for [4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for [4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate is CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)C(C(C)C)N(C)C(=O)COCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)C(NC(=O)CCCCCC(=O)NN)C(C)C)cc1)C(C)C.
What is the InChIKey of [4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate?
The InChIKey is VFILITLUZJKIQP-ZWMSMTBNSA-N. The full InChI is InChI=1S/C73H119N11O17/c1-15-48(8)66(59(97-13)42-62(89)84-36-23-27-56(84)68(98-14)49(9)69(92)78-50(10)67(91)52-24-18-16-19-25-52)83(12)71(94)55(45(2)3)41-58(86)65(47(6)7)82(11)63(90)44-100-39-38-99-37-35-77-73(96)101-43-51-30-32-54(33-31-51)79-70(93)53(26-22-34-76-72(74)95)40-57(85)64(46(4)5)80-60(87)28-20-17-21-29-61(88)81-75/h16,18-19,24-25,30-33,45-50,53,55-56,59,64-68,91H,15,17,20-23,26-29,34-44,75H2,1-14H3,(H,77,96)(H,78,92)(H,79,93)(H,80,87)(H,81,88)(H3,74,76,95)/t48-,49+,50+,53+,55-,56-,59+,64?,65?,66-,67+,68+/m0/s1.
What are the key properties of [4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate?
[4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate has a molecular weight of 1422.81 g/mol, XLogP of 5.86, 48 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2R)-2-[3-(carbamoylamino)propyl]-5-[(7-hydrazinyl-7-oxoheptanoyl)amino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-[2-[2-[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylamino]-2-oxoethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 165081599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).